N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide

C23H33N3O4 — CID 166614078

IUPACN-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1CC1CC1
InChIInChI=1S/C23H33N3O4/c27-21-7-3-17(4-8-21)13-22(28)24-15-20-6-5-19(26(20)16-18-1-2-18)14-23(29)25-9-11-30-12-10-25/h3-4,7-8,18-20,27H,1-2,5-6,9-16H2,(H,24,28)/t19-,20+/m1/s1
InChIKeyLSZTYKSZPLKBSD-UXHICEINSA-N
MW415.53 g/mol
LogP1.54
Rot. Bonds8

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 166614078) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID166614078
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1CC1CC1
InChIInChI=1S/C23H33N3O4/c27-21-7-3-17(4-8-21)13-22(28)24-15-20-6-5-19(26(20)16-18-1-2-18)14-23(29)25-9-11-30-12-10-25/h3-4,7-8,18-20,27H,1-2,5-6,9-16H2,(H,24,28)/t19-,20+/m1/s1
InChIKeyLSZTYKSZPLKBSD-UXHICEINSA-N
XLogP1.54
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-hydroxy-2-methylbenzamide
CID 166612366
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 165422651
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-hydroxy-4-methylbenzamide
CID 166621555
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 166617183
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 166624349
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide
CID 165426973
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 165425887
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3,4-dimethylbenzamide;formic acid
CID 171707902
2-amino-N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 166618679
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-5-methylpyridine-3-carboxamide
CID 166612556
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 166618901
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-4-(hydroxymethyl)benzamide
CID 171389639

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide (CID 166614078) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1CC1CC1.
What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is LSZTYKSZPLKBSD-UXHICEINSA-N. The full InChI is InChI=1S/C23H33N3O4/c27-21-7-3-17(4-8-21)13-22(28)24-15-20-6-5-19(26(20)16-18-1-2-18)14-23(29)25-9-11-30-12-10-25/h3-4,7-8,18-20,27H,1-2,5-6,9-16H2,(H,24,28)/t19-,20+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide?
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 415.53 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 166614078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).