N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide

C23H30N2O3 — CID 5145094

IUPACN-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide
SMILESCOc1cccc(CNC(=O)CCCC(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C23H30N2O3/c1-18(14-15-19-8-4-3-5-9-19)25-23(27)13-7-12-22(26)24-17-20-10-6-11-21(16-20)28-2/h3-6,8-11,16,18H,7,12-15,17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRNUSJRKYIPTNKX-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.62
Rot. Bonds11

About N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide

N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide (PubChem CID 5145094) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide
PubChem CID5145094
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide
SMILESCOc1cccc(CNC(=O)CCCC(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C23H30N2O3/c1-18(14-15-19-8-4-3-5-9-19)25-23(27)13-7-12-22(26)24-17-20-10-6-11-21(16-20)28-2/h3-6,8-11,16,18H,7,12-15,17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRNUSJRKYIPTNKX-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 24606299
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide (CID 5145094) is N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide is COc1cccc(CNC(=O)CCCC(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide?
The InChIKey is RNUSJRKYIPTNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18(14-15-19-8-4-3-5-9-19)25-23(27)13-7-12-22(26)24-17-20-10-6-11-21(16-20)28-2/h3-6,8-11,16,18H,7,12-15,17H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide?
N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide has a molecular weight of 382.50 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide is sourced from PubChem (CID 5145094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).