(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate

C17H21NO3 — CID 47980702

IUPAC(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCC1CC1COC(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C17H21NO3/c1-10-7-13(10)9-21-17(20)12-3-5-14(6-4-12)18-16(19)15-8-11(15)2/h3-6,10-11,13,15H,7-9H2,1-2H3,(H,18,19)
InChIKeyQUAPPGHXXSNMIW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds5

About (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate

(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate (PubChem CID 47980702) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate
PubChem CID47980702
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCC1CC1COC(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C17H21NO3/c1-10-7-13(10)9-21-17(20)12-3-5-14(6-4-12)18-16(19)15-8-11(15)2/h3-6,10-11,13,15H,7-9H2,1-2H3,(H,18,19)
InChIKeyQUAPPGHXXSNMIW-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
(3-methyloxetan-3-yl)methyl 4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 94796411
(1R,6S)-6-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40537606
[(2S)-2-morpholin-4-ylpropyl] 4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 100724027
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
(1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 869307

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The IUPAC name of (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate (CID 47980702) is (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate.
What is the SMILES notation for (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The canonical SMILES for (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate is CC1CC1COC(=O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The InChIKey is QUAPPGHXXSNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-7-13(10)9-21-17(20)12-3-5-14(6-4-12)18-16(19)15-8-11(15)2/h3-6,10-11,13,15H,7-9H2,1-2H3,(H,18,19).
What are the key properties of (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate?
(2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate has a molecular weight of 287.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)methyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate is sourced from PubChem (CID 47980702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).