(4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one

C24H31NO2 — CID 118493255

IUPAC(4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one
SMILESCCC[C@H](CC(=O)Cc1ccccc1)NCC(C)C(=O)Cc1ccccc1
InChIInChI=1S/C24H31NO2/c1-3-10-22(17-23(26)15-20-11-6-4-7-12-20)25-18-19(2)24(27)16-21-13-8-5-9-14-21/h4-9,11-14,19,22,25H,3,10,15-18H2,1-2H3/t19?,22-/m1/s1
InChIKeyIYMUPADDRZYEOI-AVKWCDSFSA-N
MW365.52 g/mol
LogP4.39
Rot. Bonds12

About (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one

(4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one (PubChem CID 118493255) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one
PubChem CID118493255
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one
SMILESCCC[C@H](CC(=O)Cc1ccccc1)NCC(C)C(=O)Cc1ccccc1
InChIInChI=1S/C24H31NO2/c1-3-10-22(17-23(26)15-20-11-6-4-7-12-20)25-18-19(2)24(27)16-21-13-8-5-9-14-21/h4-9,11-14,19,22,25H,3,10,15-18H2,1-2H3/t19?,22-/m1/s1
InChIKeyIYMUPADDRZYEOI-AVKWCDSFSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-3-yl-2-phenylacetamide
CID 129166933
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
ethyl (2S)-2-methyl-4-oxo-5-phenylpentanoate
CID 146342597
3-iodo-1-phenylhexan-2-one
CID 10990286
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
1-pentan-2-yloxy-3-phenylpropan-2-one
CID 102982877
3-methyl-5-(1-phenylhexan-3-ylamino)heptan-4-one
CID 143057501
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
1-(4-iodophenyl)-3-methylhexan-2-one
CID 114974127
2-(1-phenylpentan-2-ylamino)propanoic acid
CID 122035581
N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one?
The IUPAC name of (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one (CID 118493255) is (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one.
What is the SMILES notation for (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one?
The canonical SMILES for (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one is CCC[C@H](CC(=O)Cc1ccccc1)NCC(C)C(=O)Cc1ccccc1.
What is the InChIKey of (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one?
The InChIKey is IYMUPADDRZYEOI-AVKWCDSFSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-10-22(17-23(26)15-20-11-6-4-7-12-20)25-18-19(2)24(27)16-21-13-8-5-9-14-21/h4-9,11-14,19,22,25H,3,10,15-18H2,1-2H3/t19?,22-/m1/s1.
What are the key properties of (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one?
(4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one has a molecular weight of 365.52 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-methyl-3-oxo-4-phenylbutyl)amino]-1-phenylheptan-2-one is sourced from PubChem (CID 118493255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).