(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide

C19H28N2O2 — CID 126434964

IUPAC(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
SMILESC[C@@H](CCC(=O)N(Cc1cccc(O)c1)C1CC1)N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-15(20-11-2-3-12-20)7-10-19(23)21(17-8-9-17)14-16-5-4-6-18(22)13-16/h4-6,13,15,17,22H,2-3,7-12,14H2,1H3/t15-/m0/s1
InChIKeyTXFMMSPVEGLAHG-HNNXBMFYSA-N
MW316.44 g/mol
LogP3.15
Rot. Bonds7

About (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide

(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide (PubChem CID 126434964) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
PubChem CID126434964
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
SMILESC[C@@H](CCC(=O)N(Cc1cccc(O)c1)C1CC1)N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-15(20-11-2-3-12-20)7-10-19(23)21(17-8-9-17)14-16-5-4-6-18(22)13-16/h4-6,13,15,17,22H,2-3,7-12,14H2,1H3/t15-/m0/s1
InChIKeyTXFMMSPVEGLAHG-HNNXBMFYSA-N
XLogP3.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
CID 124754969
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
CID 60964131
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
CID 103801005
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 81172925
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
CID 68774007

Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide (CID 126434964) is (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide is C[C@@H](CCC(=O)N(Cc1cccc(O)c1)C1CC1)N1CCCC1.
What is the InChIKey of (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide?
The InChIKey is TXFMMSPVEGLAHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(20-11-2-3-12-20)7-10-19(23)21(17-8-9-17)14-16-5-4-6-18(22)13-16/h4-6,13,15,17,22H,2-3,7-12,14H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide?
(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide has a molecular weight of 316.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 126434964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).