3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide

C13H20N2O3 — CID 114145186

IUPAC3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(CCCO)c1
InChIInChI=1S/C13H20N2O3/c1-18-12(9-14)13(17)15-11-6-2-4-10(8-11)5-3-7-16/h2,4,6,8,12,16H,3,5,7,9,14H2,1H3,(H,15,17)
InChIKeyYGRSZRADVUGMBW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.52
Rot. Bonds7

About 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide

3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide (PubChem CID 114145186) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
PubChem CID114145186
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(CCCO)c1
InChIInChI=1S/C13H20N2O3/c1-18-12(9-14)13(17)15-11-6-2-4-10(8-11)5-3-7-16/h2,4,6,8,12,16H,3,5,7,9,14H2,1H3,(H,15,17)
InChIKeyYGRSZRADVUGMBW-UHFFFAOYSA-N
XLogP0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide (CID 114145186) is 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide is COC(CN)C(=O)Nc1cccc(CCCO)c1.
What is the InChIKey of 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide?
The InChIKey is YGRSZRADVUGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-12(9-14)13(17)15-11-6-2-4-10(8-11)5-3-7-16/h2,4,6,8,12,16H,3,5,7,9,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide?
3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide is sourced from PubChem (CID 114145186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).