N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide

C15H29N3O2 — CID 79393960

IUPACN-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
SMILESCCC(CC)NC(=O)C(C)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-4-12(5-2)18-15(20)11(3)16-10-6-7-14(19)17-13-8-9-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyCSSKXQRHSBYMGZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.33
Rot. Bonds10

About N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide

N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide (PubChem CID 79393960) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
PubChem CID79393960
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
SMILESCCC(CC)NC(=O)C(C)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-4-12(5-2)18-15(20)11(3)16-10-6-7-14(19)17-13-8-9-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyCSSKXQRHSBYMGZ-UHFFFAOYSA-N
XLogP1.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide with MolForge

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Related Compounds

N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
4-(1-cyanopropylamino)-N-cyclopropylbutanamide
CID 79394703
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide (CID 79393960) is N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide is CCC(CC)NC(=O)C(C)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide?
The InChIKey is CSSKXQRHSBYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-12(5-2)18-15(20)11(3)16-10-6-7-14(19)17-13-8-9-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide?
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide has a molecular weight of 283.42 g/mol, XLogP of 1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide is sourced from PubChem (CID 79393960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).