(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate

C24H41NO2 — CID 101477311

IUPAC(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)Oc1ccc(C)cc1
InChIInChI=1S/C24H41NO2/c1-6-10-12-21(8-3)18-25(19-22(9-4)13-11-7-2)24(26)27-23-16-14-20(5)15-17-23/h14-17,21-22H,6-13,18-19H2,1-5H3
InChIKeyDNHKKLDKLGRKQS-UHFFFAOYSA-N
MW375.60 g/mol
LogP7.23
Rot. Bonds13

About (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate

(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate (PubChem CID 101477311) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate.

Molecular Properties

Compound Name(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate
PubChem CID101477311
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)Oc1ccc(C)cc1
InChIInChI=1S/C24H41NO2/c1-6-10-12-21(8-3)18-25(19-22(9-4)13-11-7-2)24(26)27-23-16-14-20(5)15-17-23/h14-17,21-22H,6-13,18-19H2,1-5H3
InChIKeyDNHKKLDKLGRKQS-UHFFFAOYSA-N
XLogP7.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate?
The IUPAC name of (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate (CID 101477311) is (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate.
What is the SMILES notation for (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate?
The canonical SMILES for (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate is CCCCC(CC)CN(CC(CC)CCCC)C(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate?
The InChIKey is DNHKKLDKLGRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-6-10-12-21(8-3)18-25(19-22(9-4)13-11-7-2)24(26)27-23-16-14-20(5)15-17-23/h14-17,21-22H,6-13,18-19H2,1-5H3.
What are the key properties of (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate?
(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate has a molecular weight of 375.60 g/mol, XLogP of 7.23, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate is sourced from PubChem (CID 101477311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).