2-amino-N,N-dibutyl-3-methoxypropanamide

C12H26N2O2 — CID 81081055

IUPAC2-amino-N,N-dibutyl-3-methoxypropanamide
SMILESCCCCN(CCCC)C(=O)C(N)COC
InChIInChI=1S/C12H26N2O2/c1-4-6-8-14(9-7-5-2)12(15)11(13)10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyDLFSVRFQRPVWSD-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds9

About 2-amino-N,N-dibutyl-3-methoxypropanamide

2-amino-N,N-dibutyl-3-methoxypropanamide (PubChem CID 81081055) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-N,N-dibutyl-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N,N-dibutyl-3-methoxypropanamide
PubChem CID81081055
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-N,N-dibutyl-3-methoxypropanamide
SMILESCCCCN(CCCC)C(=O)C(N)COC
InChIInChI=1S/C12H26N2O2/c1-4-6-8-14(9-7-5-2)12(15)11(13)10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyDLFSVRFQRPVWSD-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N,N-dibutyl-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-butyl-N-ethyl-3-methoxypropanamide
CID 81081138
2-amino-N-butyl-N-cyclopropyl-3-methoxypropanamide
CID 81082508
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81088238
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibutyl-3-methoxypropanamide?
The IUPAC name of 2-amino-N,N-dibutyl-3-methoxypropanamide (CID 81081055) is 2-amino-N,N-dibutyl-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N,N-dibutyl-3-methoxypropanamide?
The canonical SMILES for 2-amino-N,N-dibutyl-3-methoxypropanamide is CCCCN(CCCC)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N,N-dibutyl-3-methoxypropanamide?
The InChIKey is DLFSVRFQRPVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-6-8-14(9-7-5-2)12(15)11(13)10-16-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-amino-N,N-dibutyl-3-methoxypropanamide?
2-amino-N,N-dibutyl-3-methoxypropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibutyl-3-methoxypropanamide is sourced from PubChem (CID 81081055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).