3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide

C14H27N3O2 — CID 106096315

IUPAC3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
SMILESCC(NC(C)(C)CC(N)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(17-14(2,3)9-12(15)18)13(19)16-11-7-5-4-6-8-11/h10-11,17H,4-9H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyGBIKWDXTAQJISL-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.07
Rot. Bonds6

About 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide

3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide (PubChem CID 106096315) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
PubChem CID106096315
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
SMILESCC(NC(C)(C)CC(N)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-10(17-14(2,3)9-12(15)18)13(19)16-11-7-5-4-6-8-11/h10-11,17H,4-9H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyGBIKWDXTAQJISL-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide 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

N-cyclohexyl-2-(2,2-dimethylpropylamino)propanamide
CID 61168818
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-[(2-amino-2-oxoethoxy)amino]-N-cyclopentylpropanamide
CID 112673994
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
CID 113457776
N-cyclohexyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 113293835
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide (CID 106096315) is 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide is CC(NC(C)(C)CC(N)=O)C(=O)NC1CCCCC1.
What is the InChIKey of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The InChIKey is GBIKWDXTAQJISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(17-14(2,3)9-12(15)18)13(19)16-11-7-5-4-6-8-11/h10-11,17H,4-9H2,1-3H3,(H2,15,18)(H,16,19).
What are the key properties of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106096315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).