3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride

C13H26ClN3O2 — CID 119741948

IUPAC3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-10(14)9-13(18)15-8-7-12(17)16-11-5-3-2-4-6-11;/h10-11H,2-9,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyVGSXTDGNGFJRMT-UHFFFAOYSA-N
MW291.82 g/mol
LogP1.10
Rot. Bonds6

About 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride

3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride (PubChem CID 119741948) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
PubChem CID119741948
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-10(14)9-13(18)15-8-7-12(17)16-11-5-3-2-4-6-11;/h10-11H,2-9,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyVGSXTDGNGFJRMT-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
N-cyclohexyl-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075434
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
CID 86969950
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride (CID 119741948) is 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride is CC(N)CC(=O)NCCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride?
The InChIKey is VGSXTDGNGFJRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-10(14)9-13(18)15-8-7-12(17)16-11-5-3-2-4-6-11;/h10-11H,2-9,14H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride?
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride is sourced from PubChem (CID 119741948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).