(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide

C16H24N2O2 — CID 61165075

IUPAC(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
SMILESCCCCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-10-18(13-6-7-13)16(20)15(17)11-12-4-8-14(19)9-5-12/h4-5,8-9,13,15,19H,2-3,6-7,10-11,17H2,1H3/t15-/m0/s1
InChIKeySHYCJINLBJVUKP-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds7

About (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide (PubChem CID 61165075) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
PubChem CID61165075
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
SMILESCCCCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-10-18(13-6-7-13)16(20)15(17)11-12-4-8-14(19)9-5-12/h4-5,8-9,13,15,19H,2-3,6-7,10-11,17H2,1H3/t15-/m0/s1
InChIKeySHYCJINLBJVUKP-HNNXBMFYSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 76895085
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-cyclopentyl-3-(4-hydroxyphenyl)-N-prop-2-enylpropanamide
CID 104904891
2-amino-N-butyl-N-cyclopropyl-3-methoxypropanamide
CID 81082508
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
CID 139972009
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 102861710
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-hexylamino]-3-methylpentanamide
CID 174387230
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide (CID 61165075) is (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide is CCCCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide?
The InChIKey is SHYCJINLBJVUKP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-10-18(13-6-7-13)16(20)15(17)11-12-4-8-14(19)9-5-12/h4-5,8-9,13,15,19H,2-3,6-7,10-11,17H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 61165075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).