2-(3-cyclohexylpropanoylamino)propanediamide

C12H21N3O3 — CID 47149965

IUPAC2-(3-cyclohexylpropanoylamino)propanediamide
SMILESNC(=O)C(NC(=O)CCC1CCCCC1)C(N)=O
InChIInChI=1S/C12H21N3O3/c13-11(17)10(12(14)18)15-9(16)7-6-8-4-2-1-3-5-8/h8,10H,1-7H2,(H2,13,17)(H2,14,18)(H,15,16)
InChIKeyFQJJTBXFRWVSLW-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.20
Rot. Bonds6

About 2-(3-cyclohexylpropanoylamino)propanediamide

2-(3-cyclohexylpropanoylamino)propanediamide (PubChem CID 47149965) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-cyclohexylpropanoylamino)propanediamide.

Molecular Properties

Compound Name2-(3-cyclohexylpropanoylamino)propanediamide
PubChem CID47149965
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(3-cyclohexylpropanoylamino)propanediamide
SMILESNC(=O)C(NC(=O)CCC1CCCCC1)C(N)=O
InChIInChI=1S/C12H21N3O3/c13-11(17)10(12(14)18)15-9(16)7-6-8-4-2-1-3-5-8/h8,10H,1-7H2,(H2,13,17)(H2,14,18)(H,15,16)
InChIKeyFQJJTBXFRWVSLW-UHFFFAOYSA-N
XLogP-0.20
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
CID 73254061
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
(3-cyclohexylpropanoylamino)thiourea
CID 65214782
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
N-(1-aminopentan-2-yl)-3-cyclopentylpropanamide
CID 65190822
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
4-cyclohexyl-2-oxobutanamide
CID 69253318

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropanoylamino)propanediamide?
The IUPAC name of 2-(3-cyclohexylpropanoylamino)propanediamide (CID 47149965) is 2-(3-cyclohexylpropanoylamino)propanediamide.
What is the SMILES notation for 2-(3-cyclohexylpropanoylamino)propanediamide?
The canonical SMILES for 2-(3-cyclohexylpropanoylamino)propanediamide is NC(=O)C(NC(=O)CCC1CCCCC1)C(N)=O.
What is the InChIKey of 2-(3-cyclohexylpropanoylamino)propanediamide?
The InChIKey is FQJJTBXFRWVSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-11(17)10(12(14)18)15-9(16)7-6-8-4-2-1-3-5-8/h8,10H,1-7H2,(H2,13,17)(H2,14,18)(H,15,16).
What are the key properties of 2-(3-cyclohexylpropanoylamino)propanediamide?
2-(3-cyclohexylpropanoylamino)propanediamide has a molecular weight of 255.32 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropanoylamino)propanediamide is sourced from PubChem (CID 47149965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).