N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C23H29N3O2 — CID 55898202

IUPACN-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-15-5-10-19(26-22(28)16-6-7-16)13-20(15)24-14-21(27)25-18-11-8-17(9-12-18)23(2,3)4/h5,8-13,16,24H,6-7,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyLCSCLFALPRQQJS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.69
Rot. Bonds6

About N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55898202) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55898202
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-15-5-10-19(26-22(28)16-6-7-16)13-20(15)24-14-21(27)25-18-11-8-17(9-12-18)23(2,3)4/h5,8-13,16,24H,6-7,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyLCSCLFALPRQQJS-UHFFFAOYSA-N
XLogP4.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897431
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55898202) is N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is LCSCLFALPRQQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-5-10-19(26-22(28)16-6-7-16)13-20(15)24-14-21(27)25-18-11-8-17(9-12-18)23(2,3)4/h5,8-13,16,24H,6-7,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55898202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).