2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide

C14H27N3O2 — CID 104677624

IUPAC2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-16-13(19)11(2)17-12(18)9-14(10-15)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIJVBLGLOKQHKRV-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.93
Rot. Bonds6

About 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide

2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide (PubChem CID 104677624) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
PubChem CID104677624
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-16-13(19)11(2)17-12(18)9-14(10-15)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIJVBLGLOKQHKRV-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide
CID 64684814
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 103870495
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide (CID 104677624) is 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide?
The InChIKey is IJVBLGLOKQHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16-13(19)11(2)17-12(18)9-14(10-15)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide?
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 104677624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).