2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide

C21H28N2O2 — CID 4878013

IUPAC2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
SMILESCOc1ccc(CNC(C)C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24)
InChIKeyIXWCXXMVAFSOAD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.31
Rot. Bonds9

About 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide

2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 4878013) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
PubChem CID4878013
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
SMILESCOc1ccc(CNC(C)C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24)
InChIKeyIXWCXXMVAFSOAD-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94013079
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide (CID 4878013) is 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide is COc1ccc(CNC(C)C(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is IXWCXXMVAFSOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide?
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 4878013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).