N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide

C18H27N3O2 — CID 39192508

IUPACN-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
SMILESCc1ccc(NC(=O)CN)cc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-13-7-9-15(20-18(23)12-19)11-16(13)21-17(22)10-8-14-5-3-2-4-6-14/h7,9,11,14H,2-6,8,10,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyDBDAQCJDVQLEOB-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.19
Rot. Bonds6

About N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide

N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide (PubChem CID 39192508) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
PubChem CID39192508
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
SMILESCc1ccc(NC(=O)CN)cc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-13-7-9-15(20-18(23)12-19)11-16(13)21-17(22)10-8-14-5-3-2-4-6-14/h7,9,11,14H,2-6,8,10,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyDBDAQCJDVQLEOB-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
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N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
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2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide
CID 142973982
2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
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3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide (CID 39192508) is N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide is Cc1ccc(NC(=O)CN)cc1NC(=O)CCC1CCCCC1.
What is the InChIKey of N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide?
The InChIKey is DBDAQCJDVQLEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-7-9-15(20-18(23)12-19)11-16(13)21-17(22)10-8-14-5-3-2-4-6-14/h7,9,11,14H,2-6,8,10,12,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide?
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 39192508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).