(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C21H26N2O — CID 119272187

IUPAC(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H26N2O/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)23-21(24)20(22)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14-15,20H,5-6,9-10,13,22H2,1H3,(H,23,24)/t15?,20-/m0/s1
InChIKeyIXOHYNQQJCXIOQ-MBABXSBOSA-N
MW322.45 g/mol
LogP3.31
Rot. Bonds5

About (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 119272187) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
PubChem CID119272187
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H26N2O/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)23-21(24)20(22)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14-15,20H,5-6,9-10,13,22H2,1H3,(H,23,24)/t15?,20-/m0/s1
InChIKeyIXOHYNQQJCXIOQ-MBABXSBOSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119307509
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
3-(2-aminophenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 120608273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 119272187) is (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is CC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The InChIKey is IXOHYNQQJCXIOQ-MBABXSBOSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)23-21(24)20(22)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14-15,20H,5-6,9-10,13,22H2,1H3,(H,23,24)/t15?,20-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 119272187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).