3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide

C16H18N2O3 — CID 106101486

IUPAC3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C16H18N2O3/c17-14-8-12-4-2-1-3-11(12)7-13(14)15(19)18-9-16(20)5-6-21-10-16/h1-4,7-8,20H,5-6,9-10,17H2,(H,18,19)
InChIKeyLYJZJIVQQIJKCP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide (PubChem CID 106101486) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
PubChem CID106101486
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C16H18N2O3/c17-14-8-12-4-2-1-3-11(12)7-13(14)15(19)18-9-16(20)5-6-21-10-16/h1-4,7-8,20H,5-6,9-10,17H2,(H,18,19)
InChIKeyLYJZJIVQQIJKCP-UHFFFAOYSA-N
XLogP1.30
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide
CID 154802149
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
N-[(3-hydroxyoxolan-3-yl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 103849423
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide (CID 106101486) is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is LYJZJIVQQIJKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-14-8-12-4-2-1-3-11(12)7-13(14)15(19)18-9-16(20)5-6-21-10-16/h1-4,7-8,20H,5-6,9-10,17H2,(H,18,19).
What are the key properties of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide?
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 106101486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).