N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide

C19H29N3O2 — CID 39185368

IUPACN-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
SMILESCCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)CN
InChIInChI=1S/C19H29N3O2/c1-2-15-9-10-16(12-17(15)22-19(24)13-20)21-18(23)11-8-14-6-4-3-5-7-14/h9-10,12,14H,2-8,11,13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyUTZVNBZRZMLEDP-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.45
Rot. Bonds7

About N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide

N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide (PubChem CID 39185368) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
PubChem CID39185368
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
SMILESCCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)CN
InChIInChI=1S/C19H29N3O2/c1-2-15-9-10-16(12-17(15)22-19(24)13-20)21-18(23)11-8-14-6-4-3-5-7-14/h9-10,12,14H,2-8,11,13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyUTZVNBZRZMLEDP-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide
CID 142973982
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide (CID 39185368) is N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide is CCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)CN.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide?
The InChIKey is UTZVNBZRZMLEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-15-9-10-16(12-17(15)22-19(24)13-20)21-18(23)11-8-14-6-4-3-5-7-14/h9-10,12,14H,2-8,11,13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide?
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 39185368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).