N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide

C12H19N3O2 — CID 115178144

IUPACN-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCN(Cc1cc[nH]c1)C(=O)CC1COCCN1
InChIInChI=1S/C12H19N3O2/c1-15(8-10-2-3-13-7-10)12(16)6-11-9-17-5-4-14-11/h2-3,7,11,13-14H,4-6,8-9H2,1H3
InChIKeyKAZLGNIWWFVHNV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.35
Rot. Bonds4

About N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide

N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 115178144) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID115178144
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCN(Cc1cc[nH]c1)C(=O)CC1COCCN1
InChIInChI=1S/C12H19N3O2/c1-15(8-10-2-3-13-7-10)12(16)6-11-9-17-5-4-14-11/h2-3,7,11,13-14H,4-6,8-9H2,1H3
InChIKeyKAZLGNIWWFVHNV-UHFFFAOYSA-N
XLogP0.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3R)-morpholin-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
CID 96572362
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide
CID 115178142
N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
CID 115177671
N-methyl-2-[(3S)-morpholin-3-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 129381345
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-morpholin-3-ylacetamide
CID 103188714
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride
CID 154893914
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
1,3-dimethyl-1-(1H-pyrrol-3-ylmethyl)urea
CID 115169243
2-morpholin-3-yl-1-phenylethanone
CID 14753828

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 115178144) is N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide is CN(Cc1cc[nH]c1)C(=O)CC1COCCN1.
What is the InChIKey of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is KAZLGNIWWFVHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(8-10-2-3-13-7-10)12(16)6-11-9-17-5-4-14-11/h2-3,7,11,13-14H,4-6,8-9H2,1H3.
What are the key properties of N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 115178144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).