N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide

C32H34N2O4 — CID 21085111

IUPACN-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide
SMILESCOc1cccc(CNCC(O)C(Cc2ccccc2)NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C32H34N2O4/c1-37-29-14-8-13-26(19-29)21-33-22-31(35)30(20-24-9-4-2-5-10-24)34-32(36)27-15-17-28(18-16-27)38-23-25-11-6-3-7-12-25/h2-19,30-31,33,35H,20-23H2,1H3,(H,34,36)
InChIKeyOMRHJSIPYWGBGN-UHFFFAOYSA-N
MW510.63 g/mol
LogP4.77
Rot. Bonds13

About N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide

N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide (PubChem CID 21085111) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide
PubChem CID21085111
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC NameN-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide
SMILESCOc1cccc(CNCC(O)C(Cc2ccccc2)NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C32H34N2O4/c1-37-29-14-8-13-26(19-29)21-33-22-31(35)30(20-24-9-4-2-5-10-24)34-32(36)27-15-17-28(18-16-27)38-23-25-11-6-3-7-12-25/h2-19,30-31,33,35H,20-23H2,1H3,(H,34,36)
InChIKeyOMRHJSIPYWGBGN-UHFFFAOYSA-N
XLogP4.77
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.63
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-propoxybenzamide
CID 44530434
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]acetamide
CID 69417384
3-[[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]carbamoyl]-4-methylbenzoic acid
CID 68608502
3-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-methoxy-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 59569736
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-1H-indole-5-carboxamide
CID 68608754
3-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3,5-tricarboxamide
CID 59569758
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide
CID 68608192
3-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4,6-dimethyl-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 68959174
3-benzoyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]benzamide
CID 21085714
3-(furan-2-yl)-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-methylbenzamide
CID 21087028
3-amino-N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2-methylbutanamide
CID 57487240
2-[[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]carbamoylamino]benzoic acid
CID 68607462

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide (CID 21085111) is N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide is COc1cccc(CNCC(O)C(Cc2ccccc2)NC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide?
The InChIKey is OMRHJSIPYWGBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-37-29-14-8-13-26(19-29)21-33-22-31(35)30(20-24-9-4-2-5-10-24)34-32(36)27-15-17-28(18-16-27)38-23-25-11-6-3-7-12-25/h2-19,30-31,33,35H,20-23H2,1H3,(H,34,36).
What are the key properties of N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide?
N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide has a molecular weight of 510.63 g/mol, XLogP of 4.77, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 21085111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).