(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide

C20H28N2O3 — CID 138469467

IUPAC(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCCOC(CN(Cc1ccc2ccccc2c1)C(=O)[C@H](C)N)OCC
InChIInChI=1S/C20H28N2O3/c1-4-24-19(25-5-2)14-22(20(23)15(3)21)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,15,19H,4-5,13-14,21H2,1-3H3/t15-/m0/s1
InChIKeyKLVFTXNHHQFYJB-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.91
Rot. Bonds9

About (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide

(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide (PubChem CID 138469467) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide
PubChem CID138469467
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCCOC(CN(Cc1ccc2ccccc2c1)C(=O)[C@H](C)N)OCC
InChIInChI=1S/C20H28N2O3/c1-4-24-19(25-5-2)14-22(20(23)15(3)21)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,15,19H,4-5,13-14,21H2,1-3H3/t15-/m0/s1
InChIKeyKLVFTXNHHQFYJB-HNNXBMFYSA-N
XLogP2.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-amino-4-[2,2-diethoxyethyl(naphthalen-2-ylmethyl)amino]-4-oxobutanoate
CID 138469527
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 163240446
9H-fluoren-9-ylmethyl N-[(2S)-1-[2,2-diethoxyethyl(naphthalen-2-ylmethyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate
CID 138469493
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
(2S)-2-amino-N-(2,2-diethoxyethyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 163240345
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
4-[benzyl(2,2-diethoxyethyl)amino]-4-oxobutanoic acid
CID 67447375
N,N-dibenzyl-2,4-dihydroxy-3-(naphthalen-2-ylmethoxy)hexanamide
CID 132936965
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
9H-fluoren-9-ylmethyl N-[3-[[1-[2,2-diethoxyethyl-[(4-methoxyphenyl)methyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate
CID 169091368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide (CID 138469467) is (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide is CCOC(CN(Cc1ccc2ccccc2c1)C(=O)[C@H](C)N)OCC.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide?
The InChIKey is KLVFTXNHHQFYJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-4-24-19(25-5-2)14-22(20(23)15(3)21)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,15,19H,4-5,13-14,21H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide?
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethoxyethyl)-N-(naphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 138469467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).