2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide

C22H27N3O2 — CID 69491971

IUPAC2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc(C2(CN3CC[C@@H](O)C3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c23-20(16-4-2-1-3-5-16)21(27)24-18-8-6-17(7-9-18)22(11-12-22)15-25-13-10-19(26)14-25/h1-9,19-20,26H,10-15,23H2,(H,24,27)/t19-,20?/m1/s1
InChIKeyUHWKURAXQDCHBT-FIWHBWSRSA-N
MW365.48 g/mol
LogP2.42
Rot. Bonds6

About 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide

2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide (PubChem CID 69491971) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide
PubChem CID69491971
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc(C2(CN3CC[C@@H](O)C3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c23-20(16-4-2-1-3-5-16)21(27)24-18-8-6-17(7-9-18)22(11-12-22)15-25-13-10-19(26)14-25/h1-9,19-20,26H,10-15,23H2,(H,24,27)/t19-,20?/m1/s1
InChIKeyUHWKURAXQDCHBT-FIWHBWSRSA-N
XLogP2.42
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 119871125
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
2-amino-2-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 119264312
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
CID 67245807
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119330112
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide (CID 69491971) is 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide is NC(C(=O)Nc1ccc(C2(CN3CC[C@@H](O)C3)CC2)cc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide?
The InChIKey is UHWKURAXQDCHBT-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-20(16-4-2-1-3-5-16)21(27)24-18-8-6-17(7-9-18)22(11-12-22)15-25-13-10-19(26)14-25/h1-9,19-20,26H,10-15,23H2,(H,24,27)/t19-,20?/m1/s1.
What are the key properties of 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide?
2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 69491971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).