2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide

C23H30N2O2 — CID 176691243

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccc2ccccc2c1)NC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C23H30N2O2/c1-16(26)22(13-19-10-11-20-4-2-3-5-21(20)12-19)25-23(27)14-17-6-8-18(15-24)9-7-17/h2-5,10-12,17-18,22H,6-9,13-15,24H2,1H3,(H,25,27)
InChIKeyQZXWBLSOOCBVJD-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide (PubChem CID 176691243) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide
PubChem CID176691243
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccc2ccccc2c1)NC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C23H30N2O2/c1-16(26)22(13-19-10-11-20-4-2-3-5-21(20)12-19)25-23(27)14-17-6-8-18(15-24)9-7-17/h2-5,10-12,17-18,22H,6-9,13-15,24H2,1H3,(H,25,27)
InChIKeyQZXWBLSOOCBVJD-UHFFFAOYSA-N
XLogP3.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-[(4-methylphenyl)methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 176691240
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
4-(aminomethyl)-N-[1-[3,4-bis(ethenyl)phenyl]-3-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 168904062
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
(2S)-2-[[(1R)-5-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 165381838
(2S)-2-[[(1S)-5-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 138911307
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide (CID 176691243) is 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide is CC(=O)C(Cc1ccc2ccccc2c1)NC(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide?
The InChIKey is QZXWBLSOOCBVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(26)22(13-19-10-11-20-4-2-3-5-21(20)12-19)25-23(27)14-17-6-8-18(15-24)9-7-17/h2-5,10-12,17-18,22H,6-9,13-15,24H2,1H3,(H,25,27).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide has a molecular weight of 366.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 176691243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).