N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide

C28H35BrN2O — CID 161073527

IUPACN-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide
SMILESBr.CC(C(c1ccccc1)N(C(=O)C(c1ccccc1)c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C28H34N2O.BrH/c1-21(2)30(27(22(3)29(4)5)25-19-13-8-14-20-25)28(31)26(23-15-9-6-10-16-23)24-17-11-7-12-18-24;/h6-22,26-27H,1-5H3;1H
InChIKeyUEYUWOHXMRRBRY-UHFFFAOYSA-N
MW495.51 g/mol
LogP6.32
Rot. Bonds8

About N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide

N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide (PubChem CID 161073527) has the molecular formula C28H35BrN2O and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide
PubChem CID161073527
Molecular FormulaC28H35BrN2O
Molecular Weight495.51 g/mol
Exact Mass494.19
IUPAC NameN-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide
SMILESBr.CC(C(c1ccccc1)N(C(=O)C(c1ccccc1)c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C28H34N2O.BrH/c1-21(2)30(27(22(3)29(4)5)25-19-13-8-14-20-25)28(31)26(23-15-9-6-10-16-23)24-17-11-7-12-18-24;/h6-22,26-27H,1-5H3;1H
InChIKeyUEYUWOHXMRRBRY-UHFFFAOYSA-N
XLogP6.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
(2,2-diphenylacetyl)-methylsulfamic acid
CID 174462025
2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 22398871
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide (CID 161073527) is N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide is Br.CC(C(c1ccccc1)N(C(=O)C(c1ccccc1)c1ccccc1)C(C)C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide?
The InChIKey is UEYUWOHXMRRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O.BrH/c1-21(2)30(27(22(3)29(4)5)25-19-13-8-14-20-25)28(31)26(23-15-9-6-10-16-23)24-17-11-7-12-18-24;/h6-22,26-27H,1-5H3;1H.
What are the key properties of N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide?
N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide has a molecular weight of 495.51 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylpropyl]-2,2-diphenyl-N-propan-2-ylacetamide;hydrobromide is sourced from PubChem (CID 161073527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).