N-butyl-3-(ethylamino)butanamide

C10H22N2O — CID 62838234

IUPACN-butyl-3-(ethylamino)butanamide
SMILESCCCCNC(=O)CC(C)NCC
InChIInChI=1S/C10H22N2O/c1-4-6-7-12-10(13)8-9(3)11-5-2/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyKFWJIFBHCJGFOY-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.29
Rot. Bonds7

About N-butyl-3-(ethylamino)butanamide

N-butyl-3-(ethylamino)butanamide (PubChem CID 62838234) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-butyl-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-butyl-3-(ethylamino)butanamide
PubChem CID62838234
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-butyl-3-(ethylamino)butanamide
SMILESCCCCNC(=O)CC(C)NCC
InChIInChI=1S/C10H22N2O/c1-4-6-7-12-10(13)8-9(3)11-5-2/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyKFWJIFBHCJGFOY-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.29
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

3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
N-[3-(dimethylamino)propyl]-3-(ethylamino)butanamide
CID 62839311
3-(ethylamino)-N-(4-propan-2-yloxybutyl)butanamide
CID 106011222
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193
1-butyl-3-[2-(ethylamino)propyl]urea
CID 22381398
N-butyl-3,3-dimethoxypropanamide
CID 138705714
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 114173784
N'-butyl-2-hydroxybutanediamide
CID 88532748

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(ethylamino)butanamide?
The IUPAC name of N-butyl-3-(ethylamino)butanamide (CID 62838234) is N-butyl-3-(ethylamino)butanamide.
What is the SMILES notation for N-butyl-3-(ethylamino)butanamide?
The canonical SMILES for N-butyl-3-(ethylamino)butanamide is CCCCNC(=O)CC(C)NCC.
What is the InChIKey of N-butyl-3-(ethylamino)butanamide?
The InChIKey is KFWJIFBHCJGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-7-12-10(13)8-9(3)11-5-2/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-butyl-3-(ethylamino)butanamide?
N-butyl-3-(ethylamino)butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(ethylamino)butanamide is sourced from PubChem (CID 62838234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).