N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide

C25H32N2O4 — CID 55992962

IUPACN-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)ccc1OC(C)C
InChIInChI=1S/C25H32N2O4/c1-16(2)31-22-13-11-19(15-23(22)30-4)25(29)27-21-12-10-18(14-17(21)3)24(28)26-20-8-6-5-7-9-20/h10-16,20H,5-9H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyDESDYAWQTFHFNX-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.11
Rot. Bonds7

About N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide

N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide (PubChem CID 55992962) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
PubChem CID55992962
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)ccc1OC(C)C
InChIInChI=1S/C25H32N2O4/c1-16(2)31-22-13-11-19(15-23(22)30-4)25(29)27-21-12-10-18(14-17(21)3)24(28)26-20-8-6-5-7-9-20/h10-16,20H,5-9H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyDESDYAWQTFHFNX-UHFFFAOYSA-N
XLogP5.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide (CID 55992962) is N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide is COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)ccc1OC(C)C.
What is the InChIKey of N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide?
The InChIKey is DESDYAWQTFHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-16(2)31-22-13-11-19(15-23(22)30-4)25(29)27-21-12-10-18(14-17(21)3)24(28)26-20-8-6-5-7-9-20/h10-16,20H,5-9H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide?
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide has a molecular weight of 424.54 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide is sourced from PubChem (CID 55992962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).