N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

C23H29FN2O2 — CID 132703419

IUPACN-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)Cc1ccc(F)cc1)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H29FN2O2/c1-16-8-6-7-9-19(16)15-26(17(2)22(28)25-23(3,4)5)21(27)14-18-10-12-20(24)13-11-18/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyRSSZGAZJPVSXJU-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.01
Rot. Bonds6

About N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132703419) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID132703419
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)Cc1ccc(F)cc1)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H29FN2O2/c1-16-8-6-7-9-19(16)15-26(17(2)22(28)25-23(3,4)5)21(27)14-18-10-12-20(24)13-11-18/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyRSSZGAZJPVSXJU-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132702922
N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706679
N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 133145749
N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132724402
N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132711567
N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132704907
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132713867
(2S)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568207
(2R)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568199
(2R)-N-tert-butyl-2-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125100515
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100652229
N-ethyl-2-[[2-(4-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132653228

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 132703419) is N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is RSSZGAZJPVSXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-16-8-6-7-9-19(16)15-26(17(2)22(28)25-23(3,4)5)21(27)14-18-10-12-20(24)13-11-18/h6-13,17H,14-15H2,1-5H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132703419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).