3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide

C23H29N3O2 — CID 55532868

IUPAC3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)17-7-4-16(5-8-17)6-15-21(27)24-18-9-11-19(12-10-18)25-22(28)26-20-13-14-20/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyYOPSOFUMLKBIEC-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.84
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide

3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide (PubChem CID 55532868) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
PubChem CID55532868
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)17-7-4-16(5-8-17)6-15-21(27)24-18-9-11-19(12-10-18)25-22(28)26-20-13-14-20/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyYOPSOFUMLKBIEC-UHFFFAOYSA-N
XLogP4.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
4-[3-(4-tert-butylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229878
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
CID 62700602
3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
3-(4-tert-butylphenyl)-N-(6-oxo-1H-pyridin-3-yl)propanamide
CID 110724921
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide (CID 55532868) is 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide?
The InChIKey is YOPSOFUMLKBIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)17-7-4-16(5-8-17)6-15-21(27)24-18-9-11-19(12-10-18)25-22(28)26-20-13-14-20/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide?
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55532868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).