3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

C15H22N2O3 — CID 106099130

IUPAC3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H22N2O3/c1-11-15(19,8-9-20-11)10-17-14(18)7-4-12-2-5-13(16)6-3-12/h2-3,5-6,11,19H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyKYUVDMHCVRTJOW-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.86
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (PubChem CID 106099130) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
PubChem CID106099130
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H22N2O3/c1-11-15(19,8-9-20-11)10-17-14(18)7-4-12-2-5-13(16)6-3-12/h2-3,5-6,11,19H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyKYUVDMHCVRTJOW-UHFFFAOYSA-N
XLogP0.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
(E)-3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]prop-2-enamide
CID 106101730
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (CID 106099130) is 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is CC1OCCC1(O)CNC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is KYUVDMHCVRTJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-15(19,8-9-20-11)10-17-14(18)7-4-12-2-5-13(16)6-3-12/h2-3,5-6,11,19H,4,7-10,16H2,1H3,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 106099130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).