N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide

C27H31NO3 — CID 42701836

IUPACN-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
SMILESCCC(C)N(Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)c1ccccc1C
InChIInChI=1S/C27H31NO3/c1-5-21(3)28(27(29)24-14-10-9-11-20(24)2)18-23-15-16-25(30-4)26(17-23)31-19-22-12-7-6-8-13-22/h6-17,21H,5,18-19H2,1-4H3
InChIKeyKWAUPOMTSCBMNU-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.02
Rot. Bonds9

About N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide

N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide (PubChem CID 42701836) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
PubChem CID42701836
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC NameN-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
SMILESCCC(C)N(Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)c1ccccc1C
InChIInChI=1S/C27H31NO3/c1-5-21(3)28(27(29)24-14-10-9-11-20(24)2)18-23-15-16-25(30-4)26(17-23)31-19-22-12-7-6-8-13-22/h6-17,21H,5,18-19H2,1-4H3
InChIKeyKWAUPOMTSCBMNU-UHFFFAOYSA-N
XLogP6.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 42704361
3-benzyl-1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708379
[5-[[butan-2-yl-(2-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 4690697
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42708378
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
CID 18890163
[5-[[butan-2-yl-(2-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate
CID 5098872
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
[5-[[butan-2-yl-(2-chlorobenzoyl)amino]methyl]-2-methoxyphenyl] 3,4-dichlorobenzenesulfonate
CID 71956868

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide (CID 42701836) is N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide is CCC(C)N(Cc1ccc(OC)c(OCc2ccccc2)c1)C(=O)c1ccccc1C.
What is the InChIKey of N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is KWAUPOMTSCBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-5-21(3)28(27(29)24-14-10-9-11-20(24)2)18-23-15-16-25(30-4)26(17-23)31-19-22-12-7-6-8-13-22/h6-17,21H,5,18-19H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide?
N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 417.55 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 42701836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).