2-amino-N-butyl-N-ethyl-3-methoxypropanamide

C10H22N2O2 — CID 81081138

IUPAC2-amino-N-butyl-N-ethyl-3-methoxypropanamide
SMILESCCCCN(CC)C(=O)C(N)COC
InChIInChI=1S/C10H22N2O2/c1-4-6-7-12(5-2)10(13)9(11)8-14-3/h9H,4-8,11H2,1-3H3
InChIKeyCSSZAJGXCSPRBL-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.61
Rot. Bonds7

About 2-amino-N-butyl-N-ethyl-3-methoxypropanamide

2-amino-N-butyl-N-ethyl-3-methoxypropanamide (PubChem CID 81081138) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-N-butyl-N-ethyl-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-ethyl-3-methoxypropanamide
PubChem CID81081138
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-N-butyl-N-ethyl-3-methoxypropanamide
SMILESCCCCN(CC)C(=O)C(N)COC
InChIInChI=1S/C10H22N2O2/c1-4-6-7-12(5-2)10(13)9(11)8-14-3/h9H,4-8,11H2,1-3H3
InChIKeyCSSZAJGXCSPRBL-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,N-dibutyl-3-methoxypropanamide
CID 81081055
2-amino-N-butyl-N-cyclopropyl-3-methoxypropanamide
CID 81082508
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 103831646
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-ethyl-3-methoxypropanamide?
The IUPAC name of 2-amino-N-butyl-N-ethyl-3-methoxypropanamide (CID 81081138) is 2-amino-N-butyl-N-ethyl-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-butyl-N-ethyl-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-butyl-N-ethyl-3-methoxypropanamide is CCCCN(CC)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-butyl-N-ethyl-3-methoxypropanamide?
The InChIKey is CSSZAJGXCSPRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-7-12(5-2)10(13)9(11)8-14-3/h9H,4-8,11H2,1-3H3.
What are the key properties of 2-amino-N-butyl-N-ethyl-3-methoxypropanamide?
2-amino-N-butyl-N-ethyl-3-methoxypropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-ethyl-3-methoxypropanamide is sourced from PubChem (CID 81081138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).