N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide

C22H34N2O2 — CID 55677698

IUPACN-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc(C(NC(=O)CCCNC(=O)C2CC2)C(C)C)cc1
InChIInChI=1S/C22H34N2O2/c1-15(2)14-17-7-9-18(10-8-17)21(16(3)4)24-20(25)6-5-13-23-22(26)19-11-12-19/h7-10,15-16,19,21H,5-6,11-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyPBPKZOOTTASMJH-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.00
Rot. Bonds10

About N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 55677698) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID55677698
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc(C(NC(=O)CCCNC(=O)C2CC2)C(C)C)cc1
InChIInChI=1S/C22H34N2O2/c1-15(2)14-17-7-9-18(10-8-17)21(16(3)4)24-20(25)6-5-13-23-22(26)19-11-12-19/h7-10,15-16,19,21H,5-6,11-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyPBPKZOOTTASMJH-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide
CID 60601068
3-[4-(cyclopropanecarbonylamino)butanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219157
N-[2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111298621
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
CID 119244617
4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055
6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
CID 112791697
methyl 2-[4-(cyclopropanecarbonylamino)butanoylamino]-2-phenylacetate
CID 60613351
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
CID 94272830
N-[4-[[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 99846342
N-[4-[[(S)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 97214050

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 55677698) is N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide is CC(C)Cc1ccc(C(NC(=O)CCCNC(=O)C2CC2)C(C)C)cc1.
What is the InChIKey of N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is PBPKZOOTTASMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)14-17-7-9-18(10-8-17)21(16(3)4)24-20(25)6-5-13-23-22(26)19-11-12-19/h7-10,15-16,19,21H,5-6,11-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 55677698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).