[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate

C20H23NO3 — CID 99923145

IUPAC[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate
SMILESCC[C@H](COC(=O)c1ccccc1C)NC(=O)c1ccccc1C
InChIInChI=1S/C20H23NO3/c1-4-16(21-19(22)17-11-7-5-9-14(17)2)13-24-20(23)18-12-8-6-10-15(18)3/h5-12,16H,4,13H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyILUGRGVRDPVYKS-MRXNPFEDSA-N
MW325.41 g/mol
LogP3.67
Rot. Bonds6

About [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate

[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate (PubChem CID 99923145) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate.

Molecular Properties

Compound Name[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate
PubChem CID99923145
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate
SMILESCC[C@H](COC(=O)c1ccccc1C)NC(=O)c1ccccc1C
InChIInChI=1S/C20H23NO3/c1-4-16(21-19(22)17-11-7-5-9-14(17)2)13-24-20(23)18-12-8-6-10-15(18)3/h5-12,16H,4,13H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyILUGRGVRDPVYKS-MRXNPFEDSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187
2-amino-3-methyl-N-pentan-3-ylbenzamide
CID 16772224
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
propyl 2-methylbenzoate
CID 23432654
2-[2-[2-[2-(2-methylbenzoyl)oxypropoxy]propoxy]propoxy]propyl 2-methylbenzoate
CID 121375652
1-aminopropyl 2-methylbenzoate
CID 174943529
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate?
The IUPAC name of [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate (CID 99923145) is [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate.
What is the SMILES notation for [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate?
The canonical SMILES for [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate is CC[C@H](COC(=O)c1ccccc1C)NC(=O)c1ccccc1C.
What is the InChIKey of [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate?
The InChIKey is ILUGRGVRDPVYKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-16(21-19(22)17-11-7-5-9-14(17)2)13-24-20(23)18-12-8-6-10-15(18)3/h5-12,16H,4,13H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate?
[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate is sourced from PubChem (CID 99923145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).