N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide

C14H22N2O2 — CID 81373150

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-15-10-14(17)16-11(2)12-6-5-7-13(9-12)18-3/h5-7,9,11,15H,4,8,10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeySCVZPRRHFSQZII-NSHDSACASA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide (PubChem CID 81373150) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
PubChem CID81373150
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-15-10-14(17)16-11(2)12-6-5-7-13(9-12)18-3/h5-7,9,11,15H,4,8,10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeySCVZPRRHFSQZII-NSHDSACASA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
N-butan-2-yl-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373552
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide (CID 81373150) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide is CCCNCC(=O)N[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide?
The InChIKey is SCVZPRRHFSQZII-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-8-15-10-14(17)16-11(2)12-6-5-7-13(9-12)18-3/h5-7,9,11,15H,4,8,10H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide is sourced from PubChem (CID 81373150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).