2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide

C15H24N2O4 — CID 65225450

IUPAC2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(CN)C(C)C)cc1OCCO
InChIInChI=1S/C15H24N2O4/c1-10(2)12(9-16)15(19)17-11-4-5-13(20-3)14(8-11)21-7-6-18/h4-5,8,10,12,18H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyZKFFXMVUYBWLMO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.24
Rot. Bonds8

About 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide

2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide (PubChem CID 65225450) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
PubChem CID65225450
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(CN)C(C)C)cc1OCCO
InChIInChI=1S/C15H24N2O4/c1-10(2)12(9-16)15(19)17-11-4-5-13(20-3)14(8-11)21-7-6-18/h4-5,8,10,12,18H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyZKFFXMVUYBWLMO-UHFFFAOYSA-N
XLogP1.24
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
(E)-4-[3-(2-hydroxyethoxy)-4-methoxyanilino]-4-oxobut-2-enoic acid
CID 60941052
3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 63678845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide (CID 65225450) is 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide is COc1ccc(NC(=O)C(CN)C(C)C)cc1OCCO.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
The InChIKey is ZKFFXMVUYBWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)12(9-16)15(19)17-11-4-5-13(20-3)14(8-11)21-7-6-18/h4-5,8,10,12,18H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide is sourced from PubChem (CID 65225450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).