N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide

C20H24N2O3 — CID 17198857

IUPACN-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC(C)CC)c1
InChIInChI=1S/C20H24N2O3/c1-4-14(3)21-19(23)15-9-8-10-16(13-15)22-20(24)17-11-6-7-12-18(17)25-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDNADRCYTZGFROC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.87
Rot. Bonds7

About N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide

N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide (PubChem CID 17198857) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
PubChem CID17198857
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC(C)CC)c1
InChIInChI=1S/C20H24N2O3/c1-4-14(3)21-19(23)15-9-8-10-16(13-15)22-20(24)17-11-6-7-12-18(17)25-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDNADRCYTZGFROC-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197719
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
2-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 43508405
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide (CID 17198857) is N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cccc(C(=O)NC(C)CC)c1.
What is the InChIKey of N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide?
The InChIKey is DNADRCYTZGFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-14(3)21-19(23)15-9-8-10-16(13-15)22-20(24)17-11-6-7-12-18(17)25-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide?
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 17198857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).