N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide

C30H31NO3 — CID 42704361

IUPACN-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide
SMILESCCC(C)N(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C30H31NO3/c1-4-22(2)31(30(32)27-16-10-14-25-13-8-9-15-26(25)27)20-24-17-18-28(29(19-24)33-3)34-21-23-11-6-5-7-12-23/h5-19,22H,4,20-21H2,1-3H3
InChIKeyLNUGLCPCEWIBCV-UHFFFAOYSA-N
MW453.58 g/mol
LogP6.87
Rot. Bonds9

About N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide

N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide (PubChem CID 42704361) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide
PubChem CID42704361
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC NameN-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide
SMILESCCC(C)N(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C30H31NO3/c1-4-22(2)31(30(32)27-16-10-14-25-13-8-9-15-26(25)27)20-24-17-18-28(29(19-24)33-3)34-21-23-11-6-5-7-12-23/h5-19,22H,4,20-21H2,1-3H3
InChIKeyLNUGLCPCEWIBCV-UHFFFAOYSA-N
XLogP6.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
CID 42701836
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
3-benzyl-1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708379
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42708378
[5-[[[(2S)-butan-2-yl]-(naphthalene-1-carbonyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate
CID 98335920
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
[3-[[[(2S)-butan-2-yl]-(naphthalene-1-carbonyl)amino]methyl]phenyl] ethanesulfonate
CID 7439288
[5-[[butan-2-yl-(2-methoxybenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 4690697
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
[4-[[[(2S)-butan-2-yl]-(naphthalene-1-carbonyl)amino]methyl]phenyl] ethanesulfonate
CID 7410991
3-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 42704380
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide (CID 42704361) is N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide is CCC(C)N(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is LNUGLCPCEWIBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3/c1-4-22(2)31(30(32)27-16-10-14-25-13-8-9-15-26(25)27)20-24-17-18-28(29(19-24)33-3)34-21-23-11-6-5-7-12-23/h5-19,22H,4,20-21H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide?
N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 6.87, 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-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42704361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).