4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide

C13H25N3O2 — CID 79401456

IUPAC4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,14)8-7-11(17)15-9-3-4-12(18)16-10-5-6-10/h10H,3-9,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyYLHAHQIKBXKPAQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.68
Rot. Bonds8

About 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide

4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide (PubChem CID 79401456) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
PubChem CID79401456
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,14)8-7-11(17)15-9-3-4-12(18)16-10-5-6-10/h10H,3-9,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyYLHAHQIKBXKPAQ-UHFFFAOYSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.68
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

6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
CID 79377280
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide (CID 79401456) is 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide is CC(C)(N)CCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide?
The InChIKey is YLHAHQIKBXKPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,14)8-7-11(17)15-9-3-4-12(18)16-10-5-6-10/h10H,3-9,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide?
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide has a molecular weight of 255.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide is sourced from PubChem (CID 79401456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).