N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide

C27H37N3O3 — CID 23992132

IUPACN-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1CN(C(=O)CC(C)(C)C)C1CCCCC1N
InChIInChI=1S/C27H37N3O3/c1-27(2,3)17-25(31)30(23-15-9-7-13-21(23)28)18-19-11-5-8-14-22(19)29-26(32)20-12-6-10-16-24(20)33-4/h5-6,8,10-12,14,16,21,23H,7,9,13,15,17-18,28H2,1-4H3,(H,29,32)
InChIKeyHHFOAJNRKXNRQL-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.98
Rot. Bonds7

About N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide

N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide (PubChem CID 23992132) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide
PubChem CID23992132
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC NameN-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1CN(C(=O)CC(C)(C)C)C1CCCCC1N
InChIInChI=1S/C27H37N3O3/c1-27(2,3)17-25(31)30(23-15-9-7-13-21(23)28)18-19-11-5-8-14-22(19)29-26(32)20-12-6-10-16-24(20)33-4/h5-6,8,10-12,14,16,21,23H,7,9,13,15,17-18,28H2,1-4H3,(H,29,32)
InChIKeyHHFOAJNRKXNRQL-UHFFFAOYSA-N
XLogP4.98
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23797083
N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 23762344
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
CID 23768544
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide (CID 23992132) is N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1CN(C(=O)CC(C)(C)C)C1CCCCC1N.
What is the InChIKey of N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide?
The InChIKey is HHFOAJNRKXNRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-27(2,3)17-25(31)30(23-15-9-7-13-21(23)28)18-19-11-5-8-14-22(19)29-26(32)20-12-6-10-16-24(20)33-4/h5-6,8,10-12,14,16,21,23H,7,9,13,15,17-18,28H2,1-4H3,(H,29,32).
What are the key properties of N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide?
N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide has a molecular weight of 451.61 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 23992132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).