N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide

C20H31N3O — CID 59230846

IUPACN-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
SMILESNC1CCC(CNc2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c21-17-8-6-15(7-9-17)14-22-18-10-12-19(13-11-18)23-20(24)16-4-2-1-3-5-16/h10-13,15-17,22H,1-9,14,21H2,(H,23,24)
InChIKeyPQNYPQYKBQWZRQ-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide

N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide (PubChem CID 59230846) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
PubChem CID59230846
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
SMILESNC1CCC(CNc2ccc(NC(=O)C3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c21-17-8-6-15(7-9-17)14-22-18-10-12-19(13-11-18)23-20(24)16-4-2-1-3-5-16/h10-13,15-17,22H,1-9,14,21H2,(H,23,24)
InChIKeyPQNYPQYKBQWZRQ-UHFFFAOYSA-N
XLogP4.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 90214329
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
CID 43369242

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide (CID 59230846) is N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide is NC1CCC(CNc2ccc(NC(=O)C3CCCCC3)cc2)CC1.
What is the InChIKey of N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide?
The InChIKey is PQNYPQYKBQWZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c21-17-8-6-15(7-9-17)14-22-18-10-12-19(13-11-18)23-20(24)16-4-2-1-3-5-16/h10-13,15-17,22H,1-9,14,21H2,(H,23,24).
What are the key properties of N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide?
N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide has a molecular weight of 329.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 59230846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).