4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride

C15H27Cl2N3O — CID 120564173

IUPAC4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(c1ccccc1)N(C)C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-12(16)9-10-15(19)17-11-14(18(2)3)13-7-5-4-6-8-13;;/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyFKFJNASWPWPNBG-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.38
Rot. Bonds7

About 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride

4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride (PubChem CID 120564173) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
PubChem CID120564173
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC(c1ccccc1)N(C)C.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-12(16)9-10-15(19)17-11-14(18(2)3)13-7-5-4-6-8-13;;/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyFKFJNASWPWPNBG-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
CID 60638012
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
4-amino-N-(2,3-diphenylpropyl)pentanamide
CID 120563401
4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
2-(benzhydrylamino)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799826
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride (CID 120564173) is 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCC(c1ccccc1)N(C)C.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride?
The InChIKey is FKFJNASWPWPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-12(16)9-10-15(19)17-11-14(18(2)3)13-7-5-4-6-8-13;;/h4-8,12,14H,9-11,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride?
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).