3-amino-N-butylpropanamide;butane;ethane;pentane

C20H50N2O — CID 143654511

IUPAC3-amino-N-butylpropanamide;butane;ethane;pentane
SMILESCC.CC.CCCC.CCCCC.CCCCNC(=O)CCN
InChIInChI=1S/C7H16N2O.C5H12.C4H10.2C2H6/c1-2-3-6-9-7(10)4-5-8;1-3-5-4-2;1-3-4-2;2*1-2/h2-6,8H2,1H3,(H,9,10);3-5H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyHFDUSWWZSDUFHA-UHFFFAOYSA-N
MW334.63 g/mol
LogP6.31
Rot. Bonds8

About 3-amino-N-butylpropanamide;butane;ethane;pentane

3-amino-N-butylpropanamide;butane;ethane;pentane (PubChem CID 143654511) has the molecular formula C20H50N2O and a molecular weight of 334.63 g/mol. Its IUPAC name is 3-amino-N-butylpropanamide;butane;ethane;pentane.

Molecular Properties

Compound Name3-amino-N-butylpropanamide;butane;ethane;pentane
PubChem CID143654511
Molecular FormulaC20H50N2O
Molecular Weight334.63 g/mol
Exact Mass334.39
IUPAC Name3-amino-N-butylpropanamide;butane;ethane;pentane
SMILESCC.CC.CCCC.CCCCC.CCCCNC(=O)CCN
InChIInChI=1S/C7H16N2O.C5H12.C4H10.2C2H6/c1-2-3-6-9-7(10)4-5-8;1-3-5-4-2;1-3-4-2;2*1-2/h2-6,8H2,1H3,(H,9,10);3-5H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyHFDUSWWZSDUFHA-UHFFFAOYSA-N
XLogP6.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 56.31
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

6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N'-butylbutanediamide
CID 12550556
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(4-aminobutyl)tetracosanamide
CID 171117181
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
N-(9-aminononyl)nonanamide
CID 154091260
N-(2-aminoethyl)butanamide;ethane
CID 143117924
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
N-(2-aminoethyl)nonanamide
CID 13028008
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butylpropanamide;butane;ethane;pentane?
The IUPAC name of 3-amino-N-butylpropanamide;butane;ethane;pentane (CID 143654511) is 3-amino-N-butylpropanamide;butane;ethane;pentane.
What is the SMILES notation for 3-amino-N-butylpropanamide;butane;ethane;pentane?
The canonical SMILES for 3-amino-N-butylpropanamide;butane;ethane;pentane is CC.CC.CCCC.CCCCC.CCCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-butylpropanamide;butane;ethane;pentane?
The InChIKey is HFDUSWWZSDUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C5H12.C4H10.2C2H6/c1-2-3-6-9-7(10)4-5-8;1-3-5-4-2;1-3-4-2;2*1-2/h2-6,8H2,1H3,(H,9,10);3-5H2,1-2H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of 3-amino-N-butylpropanamide;butane;ethane;pentane?
3-amino-N-butylpropanamide;butane;ethane;pentane has a molecular weight of 334.63 g/mol, XLogP of 6.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butylpropanamide;butane;ethane;pentane is sourced from PubChem (CID 143654511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).