N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide

C15H20N2O4 — CID 32968765

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C15H20N2O4/c1-20-12-6-5-11(9-13(12)21-2)15(19)17-8-7-16-14(18)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWWQCUTRTOZCEHD-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.96
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide (PubChem CID 32968765) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
PubChem CID32968765
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C15H20N2O4/c1-20-12-6-5-11(9-13(12)21-2)15(19)17-8-7-16-14(18)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWWQCUTRTOZCEHD-UHFFFAOYSA-N
XLogP0.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide (CID 32968765) is N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCNC(=O)C2CC2)cc1OC.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is WWQCUTRTOZCEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-6-5-11(9-13(12)21-2)15(19)17-8-7-16-14(18)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 292.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 32968765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).