N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide

C21H29N3O2 — CID 42705113

IUPACN-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
SMILESCn1cccc1CN(CCCN1CCOCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C21H29N3O2/c1-22-10-5-9-20(22)18-24(12-6-11-23-13-15-26-16-14-23)21(25)17-19-7-3-2-4-8-19/h2-5,7-10H,6,11-18H2,1H3
InChIKeyLVINBTGGHLJHRF-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.32
Rot. Bonds8

About N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide

N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide (PubChem CID 42705113) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
PubChem CID42705113
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
SMILESCn1cccc1CN(CCCN1CCOCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C21H29N3O2/c1-22-10-5-9-20(22)18-24(12-6-11-23-13-15-26-16-14-23)21(25)17-19-7-3-2-4-8-19/h2-5,7-10H,6,11-18H2,1H3
InChIKeyLVINBTGGHLJHRF-UHFFFAOYSA-N
XLogP2.32
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 1060482
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 4008750
1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
CID 42707836
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 5169582
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 42767969
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
CID 5060616
1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 42794999
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5038488

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide (CID 42705113) is N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide is Cn1cccc1CN(CCCN1CCOCC1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
The InChIKey is LVINBTGGHLJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22-10-5-9-20(22)18-24(12-6-11-23-13-15-26-16-14-23)21(25)17-19-7-3-2-4-8-19/h2-5,7-10H,6,11-18H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide has a molecular weight of 355.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide is sourced from PubChem (CID 42705113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).