N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide

C15H17NO3 — CID 115532759

IUPACN-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C15H17NO3/c1-3-8-16(10-11-4-5-11)15(18)13-7-6-12(19-2)9-14(13)17/h1,6-7,9,11,17H,4-5,8,10H2,2H3
InChIKeyGRLQSGTURVAEMU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds5

About N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide

N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide (PubChem CID 115532759) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
PubChem CID115532759
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C15H17NO3/c1-3-8-16(10-11-4-5-11)15(18)13-7-6-12(19-2)9-14(13)17/h1,6-7,9,11,17H,4-5,8,10H2,2H3
InChIKeyGRLQSGTURVAEMU-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide (CID 115532759) is N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide is C#CCN(CC1CC1)C(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide?
The InChIKey is GRLQSGTURVAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-8-16(10-11-4-5-11)15(18)13-7-6-12(19-2)9-14(13)17/h1,6-7,9,11,17H,4-5,8,10H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide?
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 115532759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).