N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide

C15H20N2O3 — CID 47308191

IUPACN-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
SMILESCOC(C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C15H20N2O3/c1-9-4-5-11(15(19)16-12-6-7-12)8-13(9)17-14(18)10(2)20-3/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDKDRNZDHBOFYAX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.86
Rot. Bonds5

About N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide

N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide (PubChem CID 47308191) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
PubChem CID47308191
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
SMILESCOC(C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C15H20N2O3/c1-9-4-5-11(15(19)16-12-6-7-12)8-13(9)17-14(18)10(2)20-3/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDKDRNZDHBOFYAX-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
CID 55783367
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 60530745
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide (CID 47308191) is N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide is COC(C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide?
The InChIKey is DKDRNZDHBOFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-5-11(15(19)16-12-6-7-12)8-13(9)17-14(18)10(2)20-3/h4-5,8,10,12H,6-7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide?
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide is sourced from PubChem (CID 47308191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).