N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide

C22H28N2O3 — CID 112984993

IUPACN-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NC3CCCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-13-16(14-21(15-20)27-2)22(25)24-19-11-9-18(10-12-19)23-17-7-5-3-4-6-8-17/h9-15,17,23H,3-8H2,1-2H3,(H,24,25)
InChIKeyBXRYIGBJCAJWEV-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.09
Rot. Bonds6

About N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide

N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide (PubChem CID 112984993) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
PubChem CID112984993
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NC3CCCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-13-16(14-21(15-20)27-2)22(25)24-19-11-9-18(10-12-19)23-17-7-5-3-4-6-8-17/h9-15,17,23H,3-8H2,1-2H3,(H,24,25)
InChIKeyBXRYIGBJCAJWEV-UHFFFAOYSA-N
XLogP5.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 1055982
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825

Frequently Asked Questions

What is the IUPAC name of N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide (CID 112984993) is N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NC3CCCCCC3)cc2)c1.
What is the InChIKey of N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is BXRYIGBJCAJWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-13-16(14-21(15-20)27-2)22(25)24-19-11-9-18(10-12-19)23-17-7-5-3-4-6-8-17/h9-15,17,23H,3-8H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide?
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112984993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).