N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide

C24H29N3O3 — CID 54782194

IUPACN-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-15(2)14-17-4-6-18(7-5-17)16(3)22(28)26-27-24(30)20-10-12-21(13-11-20)25-23(29)19-8-9-19/h4-7,10-13,15-16,19H,8-9,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyMRVGEAFTANRNBO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.80
Rot. Bonds7

About N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 54782194) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID54782194
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-15(2)14-17-4-6-18(7-5-17)16(3)22(28)26-27-24(30)20-10-12-21(13-11-20)25-23(29)19-8-9-19/h4-7,10-13,15-16,19H,8-9,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyMRVGEAFTANRNBO-UHFFFAOYSA-N
XLogP3.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035153
N'-(cyclohexanecarbonyl)-4-(2-methylpropyl)benzohydrazide
CID 8639719
4-(2-methylpropoxy)-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782195
N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035455
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 9241022
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782303
N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]-4-prop-2-enoxybenzohydrazide
CID 54782181
4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54782327
3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782152

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 54782194) is N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide is CC(C)Cc1ccc(C(C)C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MRVGEAFTANRNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15(2)14-17-4-6-18(7-5-17)16(3)22(28)26-27-24(30)20-10-12-21(13-11-20)25-23(29)19-8-9-19/h4-7,10-13,15-16,19H,8-9,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54782194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).