[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate

C14H22N2O2 — CID 23622010

IUPAC[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate
SMILESCCC(CC)Nc1ccc(C)c(OC(=O)NC)c1
InChIInChI=1S/C14H22N2O2/c1-5-11(6-2)16-12-8-7-10(3)13(9-12)18-14(17)15-4/h7-9,11,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyZSTPMCLKJYCDTE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds5

About [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate

[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate (PubChem CID 23622010) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate
PubChem CID23622010
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate
SMILESCCC(CC)Nc1ccc(C)c(OC(=O)NC)c1
InChIInChI=1S/C14H22N2O2/c1-5-11(6-2)16-12-8-7-10(3)13(9-12)18-14(17)15-4/h7-9,11,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyZSTPMCLKJYCDTE-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
CID 12940762
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694
2-methyl-4-(pentan-3-ylamino)benzenecarbothioamide
CID 81279004
3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
CID 20563831
(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 134150498
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
CID 12953311
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
CID 82283722
[2-methyl-5-(methylamino)phenyl] 2-piperazin-1-ylacetate
CID 126488967
1-N,1-N,2-trimethyl-4-N-pentan-3-ylbenzene-1,4-diamine
CID 115929102

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate?
The IUPAC name of [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate (CID 23622010) is [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate.
What is the SMILES notation for [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate?
The canonical SMILES for [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate is CCC(CC)Nc1ccc(C)c(OC(=O)NC)c1.
What is the InChIKey of [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate?
The InChIKey is ZSTPMCLKJYCDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11(6-2)16-12-8-7-10(3)13(9-12)18-14(17)15-4/h7-9,11,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate?
[2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(pentan-3-ylamino)phenyl] N-methylcarbamate is sourced from PubChem (CID 23622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).