propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate

C13H17NO3 — CID 142928968

IUPACpropan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CN(C=O)C(=O)OC(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-10(2)17-13(16)14(9-15)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyRVSVQWVJWNVZKH-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.50
Rot. Bonds4

About propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate

propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate (PubChem CID 142928968) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate
PubChem CID142928968
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namepropan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CN(C=O)C(=O)OC(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-10(2)17-13(16)14(9-15)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3
InChIKeyRVSVQWVJWNVZKH-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide
CID 143273736
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
amino-[(4-methylphenyl)methyl]carbamic acid
CID 68916072
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
2-[methyl-[(4-methylphenyl)methyl]amino]pentan-3-one
CID 64866924
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
N-formyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]pentanamide
CID 166118272
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
propan-2-yl 3-(4-methylphenyl)-3-oxopropanoate
CID 22925329
propan-2-yl (3R)-3-(4-methylphenyl)butanoate
CID 101090137
1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate?
The IUPAC name of propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate (CID 142928968) is propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate is Cc1ccc(CN(C=O)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate?
The InChIKey is RVSVQWVJWNVZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(2)17-13(16)14(9-15)8-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate?
propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 142928968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).