N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide

C16H18N2O3 — CID 110866378

IUPACN-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)NC(=O)c1ccco1
InChIInChI=1S/C16H18N2O3/c1-10(2)12-7-4-6-11(3)14(12)17-16(20)18-15(19)13-8-5-9-21-13/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyNNUQNXSJXWJUNF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.67
Rot. Bonds3

About N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide

N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide (PubChem CID 110866378) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide
PubChem CID110866378
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)NC(=O)c1ccco1
InChIInChI=1S/C16H18N2O3/c1-10(2)12-7-4-6-11(3)14(12)17-16(20)18-15(19)13-8-5-9-21-13/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyNNUQNXSJXWJUNF-UHFFFAOYSA-N
XLogP3.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
2-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110484715
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
3-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 18084161
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8918453
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 28549722
1-(3-bromophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108870095
N-[(4-propan-2-yloxyphenyl)carbamoyl]furan-2-carboxamide
CID 110866473
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide?
The IUPAC name of N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide (CID 110866378) is N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)NC(=O)c1ccco1.
What is the InChIKey of N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide?
The InChIKey is NNUQNXSJXWJUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)12-7-4-6-11(3)14(12)17-16(20)18-15(19)13-8-5-9-21-13/h4-10H,1-3H3,(H2,17,18,19,20).
What are the key properties of N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide?
N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]furan-2-carboxamide is sourced from PubChem (CID 110866378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).