1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C24H34N2O2 — CID 23514727

IUPAC1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCC(C)c1ccc(C(C)OC(=O)Nc2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C24H34N2O2/c1-7-17(4)20-10-12-21(13-11-20)19(6)28-24(27)25-23-15-14-22(16-18(23)5)26(8-2)9-3/h10-17,19H,7-9H2,1-6H3,(H,25,27)
InChIKeyHJZNUPNGNARPQG-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.66
Rot. Bonds8

About 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 23514727) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID23514727
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCC(C)c1ccc(C(C)OC(=O)Nc2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C24H34N2O2/c1-7-17(4)20-10-12-21(13-11-20)19(6)28-24(27)25-23-15-14-22(16-18(23)5)26(8-2)9-3/h10-17,19H,7-9H2,1-6H3,(H,25,27)
InChIKeyHJZNUPNGNARPQG-UHFFFAOYSA-N
XLogP6.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588
1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955785
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
(2-cyano-1-phenylethyl) N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948519
[2-(benzenesulfonyl)-1-phenylethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22086014
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
[2-(chloromethylsulfonyl)-1-phenylethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955870
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785
N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
CID 142207659
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 23514727) is 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCC(C)c1ccc(C(C)OC(=O)Nc2ccc(N(CC)CC)cc2C)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is HJZNUPNGNARPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-7-17(4)20-10-12-21(13-11-20)19(6)28-24(27)25-23-15-14-22(16-18(23)5)26(8-2)9-3/h10-17,19H,7-9H2,1-6H3,(H,25,27).
What are the key properties of 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 382.55 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 23514727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).