N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide

C15H20N2O3 — CID 47120108

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCNC(=O)C2CC2)ccc1C
InChIInChI=1S/C15H20N2O3/c1-10-3-4-12(9-13(10)20-2)15(19)17-8-7-16-14(18)11-5-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBKOYQCMANZLGJT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide (PubChem CID 47120108) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
PubChem CID47120108
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCNC(=O)C2CC2)ccc1C
InChIInChI=1S/C15H20N2O3/c1-10-3-4-12(9-13(10)20-2)15(19)17-8-7-16-14(18)11-5-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBKOYQCMANZLGJT-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide (CID 47120108) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCCNC(=O)C2CC2)ccc1C.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is BKOYQCMANZLGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-3-4-12(9-13(10)20-2)15(19)17-8-7-16-14(18)11-5-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 47120108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).