N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide

C30H36N2O2 — CID 132718702

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c1-23(29(34)31-30(2,3)4)32(21-20-24-14-8-5-9-15-24)28(33)22-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27H,20-22H2,1-4H3,(H,31,34)
InChIKeyMMMLPNQBMXGIBT-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.58
Rot. Bonds9

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide (PubChem CID 132718702) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
PubChem CID132718702
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c1-23(29(34)31-30(2,3)4)32(21-20-24-14-8-5-9-15-24)28(33)22-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27H,20-22H2,1-4H3,(H,31,34)
InChIKeyMMMLPNQBMXGIBT-UHFFFAOYSA-N
XLogP5.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 100636510
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132704511
N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide
CID 132710653
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707536
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132984603
N-tert-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132725881
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707138
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide (CID 132718702) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide is CC(C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
The InChIKey is MMMLPNQBMXGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-23(29(34)31-30(2,3)4)32(21-20-24-14-8-5-9-15-24)28(33)22-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27H,20-22H2,1-4H3,(H,31,34).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide has a molecular weight of 456.63 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 132718702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).