(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide

C21H26N2O2 — CID 119339475

IUPAC(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)c(OCC2CC2)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-10-18(20(11-15)25-14-17-8-9-17)13-23-21(24)19(22)12-16-5-3-2-4-6-16/h2-7,10-11,17,19H,8-9,12-14,22H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyOCOWRGCBJDGPMC-IBGZPJMESA-N
MW338.45 g/mol
LogP2.97
Rot. Bonds8

About (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide

(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide (PubChem CID 119339475) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
PubChem CID119339475
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
SMILESCc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)c(OCC2CC2)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-10-18(20(11-15)25-14-17-8-9-17)13-23-21(24)19(22)12-16-5-3-2-4-6-16/h2-7,10-11,17,19H,8-9,12-14,22H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyOCOWRGCBJDGPMC-IBGZPJMESA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-methylsulfonylbutanamide
CID 119957687
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119339476
3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
CID 119811442
4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
CID 120593809
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119811430

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide (CID 119339475) is (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide is Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)c(OCC2CC2)c1.
What is the InChIKey of (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide?
The InChIKey is OCOWRGCBJDGPMC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-10-18(20(11-15)25-14-17-8-9-17)13-23-21(24)19(22)12-16-5-3-2-4-6-16/h2-7,10-11,17,19H,8-9,12-14,22H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119339475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).