N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide

C22H29N3O — CID 95972242

IUPACN-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
SMILESC[C@@H](c1ccccc1)N1CC[C@H](NCCC(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H29N3O/c1-18(20-10-6-3-7-11-20)25-15-13-21(17-25)23-14-12-22(26)24-16-19-8-4-2-5-9-19/h2-11,18,21,23H,12-17H2,1H3,(H,24,26)/t18-,21-/m0/s1
InChIKeyWWJKAFUEBLYBDV-RXVVDRJESA-N
MW351.49 g/mol
LogP3.12
Rot. Bonds8

About N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide

N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide (PubChem CID 95972242) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
PubChem CID95972242
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
SMILESC[C@@H](c1ccccc1)N1CC[C@H](NCCC(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H29N3O/c1-18(20-10-6-3-7-11-20)25-15-13-21(17-25)23-14-12-22(26)24-16-19-8-4-2-5-9-19/h2-11,18,21,23H,12-17H2,1H3,(H,24,26)/t18-,21-/m0/s1
InChIKeyWWJKAFUEBLYBDV-RXVVDRJESA-N
XLogP3.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide with MolForge

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Related Compounds

3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336
3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98954680
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
(1S)-1-(4-methylphenyl)-2-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]ethanol
CID 98848116
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide?
The IUPAC name of N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide (CID 95972242) is N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide is C[C@@H](c1ccccc1)N1CC[C@H](NCCC(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide?
The InChIKey is WWJKAFUEBLYBDV-RXVVDRJESA-N. The full InChI is InChI=1S/C22H29N3O/c1-18(20-10-6-3-7-11-20)25-15-13-21(17-25)23-14-12-22(26)24-16-19-8-4-2-5-9-19/h2-11,18,21,23H,12-17H2,1H3,(H,24,26)/t18-,21-/m0/s1.
What are the key properties of N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide?
N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide is sourced from PubChem (CID 95972242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).