3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide

C19H23NO4 — CID 175241657

IUPAC3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=C(C)C(C=O)CC2)cc1OCC1CC1
InChIInChI=1S/C19H23NO4/c1-12-15(10-21)5-7-16(12)20-19(22)14-6-8-17(23-2)18(9-14)24-11-13-3-4-13/h6,8-10,13,15H,3-5,7,11H2,1-2H3,(H,20,22)
InChIKeyIRJWFQCMGAAVCE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.10
Rot. Bonds7

About 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide

3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide (PubChem CID 175241657) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide
PubChem CID175241657
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=C(C)C(C=O)CC2)cc1OCC1CC1
InChIInChI=1S/C19H23NO4/c1-12-15(10-21)5-7-16(12)20-19(22)14-6-8-17(23-2)18(9-14)24-11-13-3-4-13/h6,8-10,13,15H,3-5,7,11H2,1-2H3,(H,20,22)
InChIKeyIRJWFQCMGAAVCE-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzyl-3-formylcyclohexen-1-yl)-3-cyclopentyloxy-4-methoxybenzamide
CID 175240155
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide (CID 175241657) is 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2=C(C)C(C=O)CC2)cc1OCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide?
The InChIKey is IRJWFQCMGAAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-15(10-21)5-7-16(12)20-19(22)14-6-8-17(23-2)18(9-14)24-11-13-3-4-13/h6,8-10,13,15H,3-5,7,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide?
3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide is sourced from PubChem (CID 175241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).