N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide

C21H36N4O — CID 98878574

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
SMILESCN(CC[C@@H]1CCCCN1C)CC(=O)NC[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C21H36N4O/c1-23(2)20(18-10-6-5-7-11-18)16-22-21(26)17-24(3)15-13-19-12-8-9-14-25(19)4/h5-7,10-11,19-20H,8-9,12-17H2,1-4H3,(H,22,26)/t19-,20+/m0/s1
InChIKeyBWCRJRATABFZQV-VQTJNVASSA-N
MW360.55 g/mol
LogP2.21
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide (PubChem CID 98878574) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
PubChem CID98878574
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
SMILESCN(CC[C@@H]1CCCCN1C)CC(=O)NC[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C21H36N4O/c1-23(2)20(18-10-6-5-7-11-18)16-22-21(26)17-24(3)15-13-19-12-8-9-14-25(19)4/h5-7,10-11,19-20H,8-9,12-17H2,1-4H3,(H,22,26)/t19-,20+/m0/s1
InChIKeyBWCRJRATABFZQV-VQTJNVASSA-N
XLogP2.21
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
CID 78823735
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 71988848
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 11934827
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
3-benzhydryl-1-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
CID 126432631
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropanoic acid
CID 79317422
N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 112800287
N,N'-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 79313149

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide (CID 98878574) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide is CN(CC[C@@H]1CCCCN1C)CC(=O)NC[C@H](c1ccccc1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide?
The InChIKey is BWCRJRATABFZQV-VQTJNVASSA-N. The full InChI is InChI=1S/C21H36N4O/c1-23(2)20(18-10-6-5-7-11-18)16-22-21(26)17-24(3)15-13-19-12-8-9-14-25(19)4/h5-7,10-11,19-20H,8-9,12-17H2,1-4H3,(H,22,26)/t19-,20+/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide has a molecular weight of 360.55 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide is sourced from PubChem (CID 98878574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).