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

C18H29N3O — CID 120565090

IUPAC4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H29N3O/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)
InChIKeyFZFZBZFPCPCHHB-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.79
Rot. Bonds8

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

4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide (PubChem CID 120565090) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
PubChem CID120565090
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H29N3O/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)
InChIKeyFZFZBZFPCPCHHB-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.79
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;dihydrochloride
CID 120565089
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
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
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949
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
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 45249822
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide (CID 120565090) is 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide is CC(N)CCC(=O)NCC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
The InChIKey is FZFZBZFPCPCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/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).
What are the key properties of 4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide has a molecular weight of 303.45 g/mol, XLogP of 1.79, 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 is sourced from PubChem (CID 120565090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).