4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride

C18H31Cl2N3O — CID 120565089

IUPAC4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC1CCN(CCc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-15(19)7-8-18(22)20-13-17-10-12-21(14-17)11-9-16-5-3-2-4-6-16;;/h2-6,15,17H,7-14,19H2,1H3,(H,20,22);2*1H
InChIKeySIFXBQABCQDINN-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.64
Rot. Bonds8

About 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride

4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride (PubChem CID 120565089) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
PubChem CID120565089
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCC1CCN(CCc2ccccc2)C1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-15(19)7-8-18(22)20-13-17-10-12-21(14-17)11-9-16-5-3-2-4-6-16;;/h2-6,15,17H,7-14,19H2,1H3,(H,20,22);2*1H
InChIKeySIFXBQABCQDINN-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
5-amino-2-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzamide;dihydrochloride
CID 120645543
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 45249822

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride (CID 120565089) is 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCC1CCN(CCc2ccccc2)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
The InChIKey is SIFXBQABCQDINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-15(19)7-8-18(22)20-13-17-10-12-21(14-17)11-9-16-5-3-2-4-6-16;;/h2-6,15,17H,7-14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).