3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide

C23H23N5O3 — CID 24676857

IUPAC3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23N5O3/c29-21(15-16-24-22(30)26-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)28-23(31)27-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,29)(H2,24,26,30)(H2,27,28,31)
InChIKeyVMMYREXBDBMOJP-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.48
Rot. Bonds7

About 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide

3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide (PubChem CID 24676857) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
PubChem CID24676857
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23N5O3/c29-21(15-16-24-22(30)26-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)28-23(31)27-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,29)(H2,24,26,30)(H2,27,28,31)
InChIKeyVMMYREXBDBMOJP-UHFFFAOYSA-N
XLogP4.48
TPSA111.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
3-acetamido-N-phenylpropanamide
CID 7946185
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
CID 119785778
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
3-fluoro-N-phenylpropanamide
CID 70366284
N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide
CID 55726221
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
1-dodecyl-3-phenylurea
CID 3697946

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide (CID 24676857) is 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide is O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
The InChIKey is VMMYREXBDBMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-21(15-16-24-22(30)26-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)28-23(31)27-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,29)(H2,24,26,30)(H2,27,28,31).
What are the key properties of 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide has a molecular weight of 417.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 24676857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).