1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide

C29H32N2O2 — CID 154453784

IUPAC1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide
SMILESCc1cc(C(=O)NCC2CC2)c(C(=O)Nc2cccc(C(C)(C)C)c2)cc1-c1ccccc1
InChIInChI=1S/C29H32N2O2/c1-19-15-25(27(32)30-18-20-13-14-20)26(17-24(19)21-9-6-5-7-10-21)28(33)31-23-12-8-11-22(16-23)29(2,3)4/h5-12,15-17,20H,13-14,18H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyIKVJNLYRHTVGPV-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.35
Rot. Bonds6

About 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide

1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide (PubChem CID 154453784) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide
PubChem CID154453784
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide
SMILESCc1cc(C(=O)NCC2CC2)c(C(=O)Nc2cccc(C(C)(C)C)c2)cc1-c1ccccc1
InChIInChI=1S/C29H32N2O2/c1-19-15-25(27(32)30-18-20-13-14-20)26(17-24(19)21-9-6-5-7-10-21)28(33)31-23-12-8-11-22(16-23)29(2,3)4/h5-12,15-17,20H,13-14,18H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyIKVJNLYRHTVGPV-UHFFFAOYSA-N
XLogP6.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
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CID 154453798
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
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4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide (CID 154453784) is 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide is Cc1cc(C(=O)NCC2CC2)c(C(=O)Nc2cccc(C(C)(C)C)c2)cc1-c1ccccc1.
What is the InChIKey of 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide?
The InChIKey is IKVJNLYRHTVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-19-15-25(27(32)30-18-20-13-14-20)26(17-24(19)21-9-6-5-7-10-21)28(33)31-23-12-8-11-22(16-23)29(2,3)4/h5-12,15-17,20H,13-14,18H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide?
1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide has a molecular weight of 440.59 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 154453784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).