propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate

C13H18N2O3 — CID 112738727

IUPACpropyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C13H18N2O3/c1-4-7-18-13(17)15-11-8-10(12(16)14-3)6-5-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQTQILGHFIHQSNP-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.31
Rot. Bonds4

About propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate

propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate (PubChem CID 112738727) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
PubChem CID112738727
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namepropyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C13H18N2O3/c1-4-7-18-13(17)15-11-8-10(12(16)14-3)6-5-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQTQILGHFIHQSNP-UHFFFAOYSA-N
XLogP2.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
butyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 154299671
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
3-benzamido-N,4-dimethylbenzamide
CID 17226324
ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 76935517
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate (CID 112738727) is propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate is CCCOC(=O)Nc1cc(C(=O)NC)ccc1C.
What is the InChIKey of propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is QTQILGHFIHQSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-7-18-13(17)15-11-8-10(12(16)14-3)6-5-9(11)2/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate?
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 112738727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).