3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide

C24H32N2O3 — CID 43877291

IUPAC3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C24H32N2O3/c1-5-15-26(16-6-2)24(28)20-9-8-10-21(17-20)25-23(27)19-11-13-22(14-12-19)29-18(4)7-3/h8-14,17-18H,5-7,15-16H2,1-4H3,(H,25,27)
InChIKeyRGXOTTQLUWCYRL-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.38
Rot. Bonds10

About 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide

3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide (PubChem CID 43877291) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide
PubChem CID43877291
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C24H32N2O3/c1-5-15-26(16-6-2)24(28)20-9-8-10-21(17-20)25-23(27)19-11-13-22(14-12-19)29-18(4)7-3/h8-14,17-18H,5-7,15-16H2,1-4H3,(H,25,27)
InChIKeyRGXOTTQLUWCYRL-UHFFFAOYSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide
CID 43877310
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
CID 17187670
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
3-benzamido-N,N-dibutylbenzamide
CID 4270775
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide (CID 43877291) is 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)c2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide?
The InChIKey is RGXOTTQLUWCYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-15-26(16-6-2)24(28)20-9-8-10-21(17-20)25-23(27)19-11-13-22(14-12-19)29-18(4)7-3/h8-14,17-18H,5-7,15-16H2,1-4H3,(H,25,27).
What are the key properties of 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide?
3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 43877291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).