2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide

C23H31N3O2 — CID 69229388

IUPAC2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(N)C(=O)Nc2ccc(CNC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-28-21-13-9-17(10-14-21)15-22(24)23(27)26-20-11-7-18(8-12-20)16-25-19-5-3-2-4-6-19/h7-14,19,22,25H,2-6,15-16,24H2,1H3,(H,26,27)
InChIKeyGXYNHPZSDVNOOP-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.63
Rot. Bonds8

About 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide

2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 69229388) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID69229388
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(N)C(=O)Nc2ccc(CNC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-28-21-13-9-17(10-14-21)15-22(24)23(27)26-20-11-7-18(8-12-20)16-25-19-5-3-2-4-6-19/h7-14,19,22,25H,2-6,15-16,24H2,1H3,(H,26,27)
InChIKeyGXYNHPZSDVNOOP-UHFFFAOYSA-N
XLogP3.63
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
[4-[(2S)-2-amino-3-(4-methoxyanilino)-3-oxopropyl]phenyl]boronic acid
CID 169082247
3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide
CID 42368292
1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]urea
CID 139943901
1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)urea
CID 139943886
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
(2S)-2-amino-3-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131950206
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide (CID 69229388) is 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CC(N)C(=O)Nc2ccc(CNC3CCCCC3)cc2)cc1.
What is the InChIKey of 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is GXYNHPZSDVNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-21-13-9-17(10-14-21)15-22(24)23(27)26-20-11-7-18(8-12-20)16-25-19-5-3-2-4-6-19/h7-14,19,22,25H,2-6,15-16,24H2,1H3,(H,26,27).
What are the key properties of 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide?
2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 69229388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).