N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide

C27H38N2O2 — CID 134447892

IUPACN-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(C3CC3CO)ccc2N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C27H38N2O2/c1-18(2)15-29(16-19(3)4)26-11-10-22(24-13-23(24)17-30)14-25(26)28-27(31)12-21-8-6-20(5)7-9-21/h6-11,14,18-19,23-24,30H,12-13,15-17H2,1-5H3,(H,28,31)
InChIKeyZTSYNIUPPCIZJQ-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.39
Rot. Bonds10

About N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide

N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 134447892) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide
PubChem CID134447892
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(C3CC3CO)ccc2N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C27H38N2O2/c1-18(2)15-29(16-19(3)4)26-11-10-22(24-13-23(24)17-30)14-25(26)28-27(31)12-21-8-6-20(5)7-9-21/h6-11,14,18-19,23-24,30H,12-13,15-17H2,1-5H3,(H,28,31)
InChIKeyZTSYNIUPPCIZJQ-UHFFFAOYSA-N
XLogP5.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 118676114
2-[1-[4-[bis(2-methylpropyl)amino]-3-[[2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropyl]acetic acid
CID 158975465
N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide
CID 157118961
2-[4-[bis(2-methylpropyl)amino]-3-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]cyclopropane-1-carboxylic acid;cyclobutane
CID 144715869
cis-(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[(4-fluorophenyl)carbamoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 118676125
cis-(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 118676093
N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide
CID 174963232
4-fluoro-2-[3-[[2-(4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(prop-2-ynyl)amino]phenyl]benzoic acid
CID 161057927
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
cis-(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[[3-(4-fluorophenyl)phenyl]carbamoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 85472266
2-[4-[3-methylpentan-3-yl(2-methylpropyl)amino]-3-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzoic acid
CID 142383536
1-[4-[bis(2-methylpropyl)amino]-3-[[2-(2,4-difluorophenyl)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 157085316

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide (CID 134447892) is N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc(C3CC3CO)ccc2N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is ZTSYNIUPPCIZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-18(2)15-29(16-19(3)4)26-11-10-22(24-13-23(24)17-30)14-25(26)28-27(31)12-21-8-6-20(5)7-9-21/h6-11,14,18-19,23-24,30H,12-13,15-17H2,1-5H3,(H,28,31).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide?
N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 422.61 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 134447892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).