N-butyl-2-(3-cyclopropylpropylamino)propanamide

C13H26N2O — CID 115638941

IUPACN-butyl-2-(3-cyclopropylpropylamino)propanamide
SMILESCCCCNC(=O)C(C)NCCCC1CC1
InChIInChI=1S/C13H26N2O/c1-3-4-9-15-13(16)11(2)14-10-5-6-12-7-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyZTNCHOFTWYNTHE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds9

About N-butyl-2-(3-cyclopropylpropylamino)propanamide

N-butyl-2-(3-cyclopropylpropylamino)propanamide (PubChem CID 115638941) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-2-(3-cyclopropylpropylamino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(3-cyclopropylpropylamino)propanamide
PubChem CID115638941
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-2-(3-cyclopropylpropylamino)propanamide
SMILESCCCCNC(=O)C(C)NCCCC1CC1
InChIInChI=1S/C13H26N2O/c1-3-4-9-15-13(16)11(2)14-10-5-6-12-7-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyZTNCHOFTWYNTHE-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-butyl-2-(2-cyclopentyloxyethylamino)propanamide
CID 55261648
N-butyl-2-cyclopentylpropanamide
CID 173178636
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
2-(2-cyclopropylpropylamino)-N-pentylpropanamide
CID 115591539
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
CID 55140066
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-cyclopropylpropylamino)propanamide?
The IUPAC name of N-butyl-2-(3-cyclopropylpropylamino)propanamide (CID 115638941) is N-butyl-2-(3-cyclopropylpropylamino)propanamide.
What is the SMILES notation for N-butyl-2-(3-cyclopropylpropylamino)propanamide?
The canonical SMILES for N-butyl-2-(3-cyclopropylpropylamino)propanamide is CCCCNC(=O)C(C)NCCCC1CC1.
What is the InChIKey of N-butyl-2-(3-cyclopropylpropylamino)propanamide?
The InChIKey is ZTNCHOFTWYNTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-9-15-13(16)11(2)14-10-5-6-12-7-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-(3-cyclopropylpropylamino)propanamide?
N-butyl-2-(3-cyclopropylpropylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-cyclopropylpropylamino)propanamide is sourced from PubChem (CID 115638941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).