N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide

C21H26N2O2 — CID 112984992

IUPACN-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-14-8-16(9-15-20)21(24)23-19-12-10-18(11-13-19)22-17-6-4-2-3-5-7-17/h8-15,17,22H,2-7H2,1H3,(H,23,24)
InChIKeyLURSMWAFJIWVRV-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.08
Rot. Bonds5

About N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide

N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide (PubChem CID 112984992) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
PubChem CID112984992
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-14-8-16(9-15-20)21(24)23-19-12-10-18(11-13-19)22-17-6-4-2-3-5-7-17/h8-15,17,22H,2-7H2,1H3,(H,23,24)
InChIKeyLURSMWAFJIWVRV-UHFFFAOYSA-N
XLogP5.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
4-(cyclohexylcarbamothioylamino)-N-(4-methoxyphenyl)benzamide
CID 8624627
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881

Frequently Asked Questions

What is the IUPAC name of N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide (CID 112984992) is N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NC3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide?
The InChIKey is LURSMWAFJIWVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-14-8-16(9-15-20)21(24)23-19-12-10-18(11-13-19)22-17-6-4-2-3-5-7-17/h8-15,17,22H,2-7H2,1H3,(H,23,24).
What are the key properties of N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide?
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112984992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).