(2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide

C25H34N4O3 — CID 87704633

IUPAC(2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide
SMILESCC(C)(C)C(=O)N1CCCC1N(C=O)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCN
InChIInChI=1S/C25H34N4O3/c1-25(2,3)24(32)28-14-6-9-22(28)29(17-30)21(23(31)27-13-12-26)16-18-10-11-19-7-4-5-8-20(19)15-18/h4-5,7-8,10-11,15,17,21-22H,6,9,12-14,16,26H2,1-3H3,(H,27,31)/t21-,22?/m1/s1
InChIKeyNZAKXMXENUIRNQ-ZMFCMNQTSA-N
MW438.57 g/mol
LogP2.28
Rot. Bonds8

About (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide

(2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide (PubChem CID 87704633) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide
PubChem CID87704633
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name(2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide
SMILESCC(C)(C)C(=O)N1CCCC1N(C=O)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCN
InChIInChI=1S/C25H34N4O3/c1-25(2,3)24(32)28-14-6-9-22(28)29(17-30)21(23(31)27-13-12-26)16-18-10-11-19-7-4-5-8-20(19)15-18/h4-5,7-8,10-11,15,17,21-22H,6,9,12-14,16,26H2,1-3H3,(H,27,31)/t21-,22?/m1/s1
InChIKeyNZAKXMXENUIRNQ-ZMFCMNQTSA-N
XLogP2.28
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-aminoethyl)-2-[formyl-[1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]amino]-3-naphthalen-2-ylpropanamide
CID 87919055
(2R)-N-(3-aminopropyl)-2-[[1-(4,4-dimethyl-2,3-dioxohexanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide;hydrochloride
CID 87704721
(2R)-N-[3-(benzylamino)propyl]-2-[[1-(2-ethylbutanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide
CID 87919977
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 69121254
N-[(2R)-1-[2-aminoethyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 58590754
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 69121565
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[3-[(2-hydroxyphenyl)methylamino]propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 58590763
N-[(2R)-1-[3-[(4-chlorophenyl)methylamino]propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 69121773
(2S)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 21021085
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[3-[(2-hydroxy-2-methylpropyl)amino]propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 69121778
(2S)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[3-[(4-hydroxyphenyl)methylamino]propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 21021158
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 69121405

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide (CID 87704633) is (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide is CC(C)(C)C(=O)N1CCCC1N(C=O)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCN.
What is the InChIKey of (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide?
The InChIKey is NZAKXMXENUIRNQ-ZMFCMNQTSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-25(2,3)24(32)28-14-6-9-22(28)29(17-30)21(23(31)27-13-12-26)16-18-10-11-19-7-4-5-8-20(19)15-18/h4-5,7-8,10-11,15,17,21-22H,6,9,12-14,16,26H2,1-3H3,(H,27,31)/t21-,22?/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide?
(2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide has a molecular weight of 438.57 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-formylamino]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 87704633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).