methyl N-[(4-propylphenyl)methyl]carbamate

C12H17NO2 — CID 110780430

IUPACmethyl N-[(4-propylphenyl)methyl]carbamate
SMILESCCCc1ccc(CNC(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-3-4-10-5-7-11(8-6-10)9-13-12(14)15-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyHVTMUJLVOJPDEF-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.50
Rot. Bonds4

About methyl N-[(4-propylphenyl)methyl]carbamate

methyl N-[(4-propylphenyl)methyl]carbamate (PubChem CID 110780430) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl N-[(4-propylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-propylphenyl)methyl]carbamate
PubChem CID110780430
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl N-[(4-propylphenyl)methyl]carbamate
SMILESCCCc1ccc(CNC(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-3-4-10-5-7-11(8-6-10)9-13-12(14)15-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyHVTMUJLVOJPDEF-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115163381
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 112738600
methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]butanoate
CID 155189601
(4-butylphenyl)methylcarbamic acid
CID 22507604
methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
CID 5002814
3-methyl-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115164577
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
3-amino-4-oxo-4-[(4-propylphenyl)methylamino]butanoic acid
CID 115181300
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-propylphenyl)methyl]carbamate?
The IUPAC name of methyl N-[(4-propylphenyl)methyl]carbamate (CID 110780430) is methyl N-[(4-propylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(4-propylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-[(4-propylphenyl)methyl]carbamate is CCCc1ccc(CNC(=O)OC)cc1.
What is the InChIKey of methyl N-[(4-propylphenyl)methyl]carbamate?
The InChIKey is HVTMUJLVOJPDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-10-5-7-11(8-6-10)9-13-12(14)15-2/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of methyl N-[(4-propylphenyl)methyl]carbamate?
methyl N-[(4-propylphenyl)methyl]carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-propylphenyl)methyl]carbamate is sourced from PubChem (CID 110780430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).