N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide

C15H21NO3 — CID 54945861

IUPACN-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(CC2CC2)C(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10(2)16(9-11-4-5-11)15(18)13-8-12(19-3)6-7-14(13)17/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyLJIBAWRLWXUVIR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds5

About N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide

N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide (PubChem CID 54945861) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
PubChem CID54945861
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(CC2CC2)C(C)C)c1
InChIInChI=1S/C15H21NO3/c1-10(2)16(9-11-4-5-11)15(18)13-8-12(19-3)6-7-14(13)17/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyLJIBAWRLWXUVIR-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
CID 115281180
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
2-[cyclopropylmethyl(propan-2-yl)amino]-4-methoxybenzoic acid
CID 81305400
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 106124081
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide (CID 54945861) is N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide is COc1ccc(O)c(C(=O)N(CC2CC2)C(C)C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide?
The InChIKey is LJIBAWRLWXUVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)16(9-11-4-5-11)15(18)13-8-12(19-3)6-7-14(13)17/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide?
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.66, 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-5-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 54945861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).