(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide

C14H21N3O4 — CID 162388053

IUPAC(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
SMILESCOc1ccc(CCNC(=O)[C@H](N)CC(N)=O)cc1OC
InChIInChI=1S/C14H21N3O4/c1-20-11-4-3-9(7-12(11)21-2)5-6-17-14(19)10(15)8-13(16)18/h3-4,7,10H,5-6,8,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyLPFYZWWPAQUXSH-SNVBAGLBSA-N
MW295.34 g/mol
LogP-0.43
Rot. Bonds8

About (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide

(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide (PubChem CID 162388053) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
PubChem CID162388053
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
SMILESCOc1ccc(CCNC(=O)[C@H](N)CC(N)=O)cc1OC
InChIInChI=1S/C14H21N3O4/c1-20-11-4-3-9(7-12(11)21-2)5-6-17-14(19)10(15)8-13(16)18/h3-4,7,10H,5-6,8,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m1/s1
InChIKeyLPFYZWWPAQUXSH-SNVBAGLBSA-N
XLogP-0.43
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
CID 55093625

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
The IUPAC name of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide (CID 162388053) is (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide is COc1ccc(CCNC(=O)[C@H](N)CC(N)=O)cc1OC.
What is the InChIKey of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
The InChIKey is LPFYZWWPAQUXSH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-11-4-3-9(7-12(11)21-2)5-6-17-14(19)10(15)8-13(16)18/h3-4,7,10H,5-6,8,15H2,1-2H3,(H2,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide has a molecular weight of 295.34 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide is sourced from PubChem (CID 162388053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).