2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide

C15H22N2O3 — CID 136558524

IUPAC2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)C(N)CC1OCCO1
InChIInChI=1S/C15H22N2O3/c1-2-17(11-12-6-4-3-5-7-12)15(18)13(16)10-14-19-8-9-20-14/h3-7,13-14H,2,8-11,16H2,1H3
InChIKeyNLMMOSHOVYCCBW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.13
Rot. Bonds6

About 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide

2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide (PubChem CID 136558524) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
PubChem CID136558524
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)C(N)CC1OCCO1
InChIInChI=1S/C15H22N2O3/c1-2-17(11-12-6-4-3-5-7-12)15(18)13(16)10-14-19-8-9-20-14/h3-7,13-14H,2,8-11,16H2,1H3
InChIKeyNLMMOSHOVYCCBW-UHFFFAOYSA-N
XLogP1.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-benzyl-N-ethylbutanediamide
CID 54928160
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CID 104984220
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
2-amino-3-[[(2S)-2-amino-3-(dibenzylamino)-3-oxopropyl]disulfanyl]-N,N-dibenzylpropanamide
CID 87772747
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide?
The IUPAC name of 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide (CID 136558524) is 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide?
The canonical SMILES for 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)C(N)CC1OCCO1.
What is the InChIKey of 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide?
The InChIKey is NLMMOSHOVYCCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-17(11-12-6-4-3-5-7-12)15(18)13(16)10-14-19-8-9-20-14/h3-7,13-14H,2,8-11,16H2,1H3.
What are the key properties of 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide?
2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 136558524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).