N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide

C13H25N3O2 — CID 79401446

IUPACN-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
SMILESCC(C)NCCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)14-9-7-12(17)15-8-3-4-13(18)16-11-5-6-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKKHSUWRADNXPPS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds9

About N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide

N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide (PubChem CID 79401446) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
PubChem CID79401446
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
SMILESCC(C)NCCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)14-9-7-12(17)15-8-3-4-13(18)16-11-5-6-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKKHSUWRADNXPPS-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-(3-methylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 114546265
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
CID 78902587
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 114546434

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide (CID 79401446) is N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide is CC(C)NCCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide?
The InChIKey is KKHSUWRADNXPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)14-9-7-12(17)15-8-3-4-13(18)16-11-5-6-11/h10-11,14H,3-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide?
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide is sourced from PubChem (CID 79401446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).