2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide

C21H27N3O3 — CID 95889150

IUPAC2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide
SMILESCCn1c(C)cc(C(=O)N2CCOC[C@@H]2CC(=O)Nc2ccccc2)c1C
InChIInChI=1S/C21H27N3O3/c1-4-23-15(2)12-19(16(23)3)21(26)24-10-11-27-14-18(24)13-20(25)22-17-8-6-5-7-9-17/h5-9,12,18H,4,10-11,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1
InChIKeyIJIRAQNBVOBXIZ-SFHVURJKSA-N
MW369.47 g/mol
LogP2.99
Rot. Bonds5

About 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide

2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide (PubChem CID 95889150) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide
PubChem CID95889150
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide
SMILESCCn1c(C)cc(C(=O)N2CCOC[C@@H]2CC(=O)Nc2ccccc2)c1C
InChIInChI=1S/C21H27N3O3/c1-4-23-15(2)12-19(16(23)3)21(26)24-10-11-27-14-18(24)13-20(25)22-17-8-6-5-7-9-17/h5-9,12,18H,4,10-11,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1
InChIKeyIJIRAQNBVOBXIZ-SFHVURJKSA-N
XLogP2.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
CID 95863044
N-(3-methoxyphenyl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)morpholin-3-yl]acetamide
CID 56904398
N-(3-ethoxyphenyl)-2-[4-(thiophene-2-carbonyl)morpholin-3-yl]acetamide
CID 56908629
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide
CID 95867516
[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94151412
2-[4-(2-ethoxypyridine-3-carbonyl)morpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 56890708
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]methanone
CID 97251314
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
2-[(3S)-4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)morpholin-3-yl]-N-phenylacetamide
CID 95861441

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide (CID 95889150) is 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide is CCn1c(C)cc(C(=O)N2CCOC[C@@H]2CC(=O)Nc2ccccc2)c1C.
What is the InChIKey of 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide?
The InChIKey is IJIRAQNBVOBXIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-23-15(2)12-19(16(23)3)21(26)24-10-11-27-14-18(24)13-20(25)22-17-8-6-5-7-9-17/h5-9,12,18H,4,10-11,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide?
2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide has a molecular weight of 369.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 95889150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).