3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide

C15H24N2O3 — CID 81087961

IUPAC3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
SMILESCCOc1ccc(NC(=O)CC(CC)CN)cc1CO
InChIInChI=1S/C15H24N2O3/c1-3-11(9-16)7-15(19)17-13-5-6-14(20-4-2)12(8-13)10-18/h5-6,8,11,18H,3-4,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyVUYQITYPQSDKOP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds8

About 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide

3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide (PubChem CID 81087961) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
PubChem CID81087961
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
SMILESCCOc1ccc(NC(=O)CC(CC)CN)cc1CO
InChIInChI=1S/C15H24N2O3/c1-3-11(9-16)7-15(19)17-13-5-6-14(20-4-2)12(8-13)10-18/h5-6,8,11,18H,3-4,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyVUYQITYPQSDKOP-UHFFFAOYSA-N
XLogP1.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide (CID 81087961) is 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide is CCOc1ccc(NC(=O)CC(CC)CN)cc1CO.
What is the InChIKey of 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide?
The InChIKey is VUYQITYPQSDKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-11(9-16)7-15(19)17-13-5-6-14(20-4-2)12(8-13)10-18/h5-6,8,11,18H,3-4,7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide?
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide has a molecular weight of 280.37 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide is sourced from PubChem (CID 81087961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).