trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide

C25H38N2O2 — CID 40530124

IUPACtrans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]2CCC(C)C)cc1NC(=O)[C@@H]1C[C@@H]1CCC(C)C
InChIInChI=1S/C25H38N2O2/c1-15(2)6-9-18-12-21(18)24(28)26-20-11-8-17(5)23(14-20)27-25(29)22-13-19(22)10-7-16(3)4/h8,11,14-16,18-19,21-22H,6-7,9-10,12-13H2,1-5H3,(H,26,28)(H,27,29)/t18-,19-,21+,22+/m0/s1
InChIKeyVIWWMUJZSVBWKR-SEIRJHJZSA-N
MW398.59 g/mol
LogP6.02
Rot. Bonds10

About trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide

trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide (PubChem CID 40530124) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide
PubChem CID40530124
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Nametrans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]2CCC(C)C)cc1NC(=O)[C@@H]1C[C@@H]1CCC(C)C
InChIInChI=1S/C25H38N2O2/c1-15(2)6-9-18-12-21(18)24(28)26-20-11-8-17(5)23(14-20)27-25(29)22-13-19(22)10-7-16(3)4/h8,11,14-16,18-19,21-22H,6-7,9-10,12-13H2,1-5H3,(H,26,28)(H,27,29)/t18-,19-,21+,22+/m0/s1
InChIKeyVIWWMUJZSVBWKR-SEIRJHJZSA-N
XLogP6.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide 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

trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide
CID 746777
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
CID 832649
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
2-N-(3,4-dichlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141641
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
6-[(3-acetamido-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 56814764

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide (CID 40530124) is trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@@H]2C[C@@H]2CCC(C)C)cc1NC(=O)[C@@H]1C[C@@H]1CCC(C)C.
What is the InChIKey of trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is VIWWMUJZSVBWKR-SEIRJHJZSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-15(2)6-9-18-12-21(18)24(28)26-20-11-8-17(5)23(14-20)27-25(29)22-13-19(22)10-7-16(3)4/h8,11,14-16,18-19,21-22H,6-7,9-10,12-13H2,1-5H3,(H,26,28)(H,27,29)/t18-,19-,21+,22+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide?
trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 398.59 g/mol, XLogP of 6.02, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(3-methylbutyl)-N-[4-methyl-3-[[(1R,2S)-2-(3-methylbutyl)cyclopropanecarbonyl]amino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 40530124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).