pentyl N-(2,3-dimethylphenyl)carbamate

C14H21NO2 — CID 67224128

IUPACpentyl N-(2,3-dimethylphenyl)carbamate
SMILESCCCCCOC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C14H21NO2/c1-4-5-6-10-17-14(16)15-13-9-7-8-11(2)12(13)3/h7-9H,4-6,10H2,1-3H3,(H,15,16)
InChIKeyBICWFWWEJXPTDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.04
Rot. Bonds5

About pentyl N-(2,3-dimethylphenyl)carbamate

pentyl N-(2,3-dimethylphenyl)carbamate (PubChem CID 67224128) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is pentyl N-(2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Namepentyl N-(2,3-dimethylphenyl)carbamate
PubChem CID67224128
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepentyl N-(2,3-dimethylphenyl)carbamate
SMILESCCCCCOC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C14H21NO2/c1-4-5-6-10-17-14(16)15-13-9-7-8-11(2)12(13)3/h7-9H,4-6,10H2,1-3H3,(H,15,16)
InChIKeyBICWFWWEJXPTDQ-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
methyl 2-(hexadecoxycarbonylamino)-6-hydroxybenzoate
CID 139715263
propan-2-yl N,N-bis[2-[(2,3-dimethylphenyl)carbamoyloxy]ethyl]carbamate
CID 171976842
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
2-(butoxycarbonylamino)-6-butylbenzoic acid
CID 19845684
dodecyl N-phenylcarbamate
CID 521818

Frequently Asked Questions

What is the IUPAC name of pentyl N-(2,3-dimethylphenyl)carbamate?
The IUPAC name of pentyl N-(2,3-dimethylphenyl)carbamate (CID 67224128) is pentyl N-(2,3-dimethylphenyl)carbamate.
What is the SMILES notation for pentyl N-(2,3-dimethylphenyl)carbamate?
The canonical SMILES for pentyl N-(2,3-dimethylphenyl)carbamate is CCCCCOC(=O)Nc1cccc(C)c1C.
What is the InChIKey of pentyl N-(2,3-dimethylphenyl)carbamate?
The InChIKey is BICWFWWEJXPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-10-17-14(16)15-13-9-7-8-11(2)12(13)3/h7-9H,4-6,10H2,1-3H3,(H,15,16).
What are the key properties of pentyl N-(2,3-dimethylphenyl)carbamate?
pentyl N-(2,3-dimethylphenyl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 67224128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).