(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide

C14H22N2O2 — CID 9114874

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)NC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-11(3)14(17)15-9-12-5-7-13(18-4)8-6-12/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyRMNMJQVNSHEDSH-LLVKDONJSA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds6

About (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide

(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide (PubChem CID 9114874) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
PubChem CID9114874
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)NC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-11(3)14(17)15-9-12-5-7-13(18-4)8-6-12/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyRMNMJQVNSHEDSH-LLVKDONJSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9001411
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide (CID 9114874) is (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide is COc1ccc(CNC(=O)[C@@H](C)NC(C)C)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide?
The InChIKey is RMNMJQVNSHEDSH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-11(3)14(17)15-9-12-5-7-13(18-4)8-6-12/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide?
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 9114874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).