N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide

C14H22N2O2 — CID 81364091

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-11(16-14(17)5-4-10-15-2)12-6-8-13(18-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyIVQJOIJKWMPIPA-NSHDSACASA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide (PubChem CID 81364091) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
PubChem CID81364091
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-11(16-14(17)5-4-10-15-2)12-6-8-13(18-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyIVQJOIJKWMPIPA-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

4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 166383618
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119721996

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide (CID 81364091) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)N[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is IVQJOIJKWMPIPA-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(16-14(17)5-4-10-15-2)12-6-8-13(18-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide 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-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 81364091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).