N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C22H36N2O2 — CID 30670622

IUPACN-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H36N2O2/c1-15(2)19(16-9-11-17(12-10-16)21(3,4)5)24-18(25)13-14-23-20(26)22(6,7)8/h9-12,15,19H,13-14H2,1-8H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyHGGUDNLLHZGFJU-LJQANCHMSA-N
MW360.54 g/mol
LogP4.35
Rot. Bonds6

About N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 30670622) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID30670622
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H36N2O2/c1-15(2)19(16-9-11-17(12-10-16)21(3,4)5)24-18(25)13-14-23-20(26)22(6,7)8/h9-12,15,19H,13-14H2,1-8H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyHGGUDNLLHZGFJU-LJQANCHMSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[3-(1-naphthalen-2-ylethylamino)-3-oxopropyl]propanamide
CID 18155146
2-(4-acetamidophenyl)-N-[1-(4-tert-butylphenyl)-2-methylpropyl]acetamide
CID 24685511
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78814409
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712807
3-(benzylcarbamoylamino)-N-(2-methyl-1-phenylpropyl)propanamide
CID 24625545
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118
4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
N-[3-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 46438456
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55675013
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 30670622) is N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is HGGUDNLLHZGFJU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-15(2)19(16-9-11-17(12-10-16)21(3,4)5)24-18(25)13-14-23-20(26)22(6,7)8/h9-12,15,19H,13-14H2,1-8H3,(H,23,26)(H,24,25)/t19-/m1/s1.
What are the key properties of N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 360.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 30670622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).