(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide

C18H31N3O — CID 97200777

IUPAC(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCC(C)(C)CN(C)C)N(C)C)c1
InChIInChI=1S/C18H31N3O/c1-14-9-8-10-15(11-14)16(21(6)7)17(22)19-12-18(2,3)13-20(4)5/h8-11,16H,12-13H2,1-7H3,(H,19,22)/t16-/m0/s1
InChIKeyUZGVZFBJTFFTCH-INIZCTEOSA-N
MW305.47 g/mol
LogP2.30
Rot. Bonds7

About (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide

(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide (PubChem CID 97200777) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
PubChem CID97200777
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCC(C)(C)CN(C)C)N(C)C)c1
InChIInChI=1S/C18H31N3O/c1-14-9-8-10-15(11-14)16(21(6)7)17(22)19-12-18(2,3)13-20(4)5/h8-11,16H,12-13H2,1-7H3,(H,19,22)/t16-/m0/s1
InChIKeyUZGVZFBJTFFTCH-INIZCTEOSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 28572661
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
CID 134008156
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide (CID 97200777) is (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide is Cc1cccc([C@@H](C(=O)NCC(C)(C)CN(C)C)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide?
The InChIKey is UZGVZFBJTFFTCH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14-9-8-10-15(11-14)16(21(6)7)17(22)19-12-18(2,3)13-20(4)5/h8-11,16H,12-13H2,1-7H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide?
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide has a molecular weight of 305.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 97200777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).