4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide

C23H23N3O3 — CID 38825151

IUPAC4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-2-15-29-21-10-6-9-20(16-21)24-22(27)17-11-13-19(14-12-17)26-23(28)25-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyRGRIZADRAOJFRA-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.37
Rot. Bonds7

About 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide

4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide (PubChem CID 38825151) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
PubChem CID38825151
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-2-15-29-21-10-6-9-20(16-21)24-22(27)17-11-13-19(14-12-17)26-23(28)25-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyRGRIZADRAOJFRA-UHFFFAOYSA-N
XLogP5.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide?
The IUPAC name of 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide (CID 38825151) is 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide.
What is the SMILES notation for 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide?
The canonical SMILES for 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide is CCCOc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide?
The InChIKey is RGRIZADRAOJFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-15-29-21-10-6-9-20(16-21)24-22(27)17-11-13-19(14-12-17)26-23(28)25-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide?
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 5.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide is sourced from PubChem (CID 38825151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).