N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide

C18H24N2O2 — CID 7237066

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide
SMILESCCCN(Cc1cccn1C)C(=O)COCc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-3-11-20(13-17-10-7-12-19(17)2)18(21)15-22-14-16-8-5-4-6-9-16/h4-10,12H,3,11,13-15H2,1-2H3
InChIKeyVZLNDTQXCMHFAU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.98
Rot. Bonds8

About N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide

N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide (PubChem CID 7237066) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide
PubChem CID7237066
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide
SMILESCCCN(Cc1cccn1C)C(=O)COCc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-3-11-20(13-17-10-7-12-19(17)2)18(21)15-22-14-16-8-5-4-6-9-16/h4-10,12H,3,11,13-15H2,1-2H3
InChIKeyVZLNDTQXCMHFAU-UHFFFAOYSA-N
XLogP2.98
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide
CID 42759988
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3953868
N-cyclopropyl-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767861
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylmethoxyacetamide
CID 3977868
2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4003243
N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 3581106
(E)-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6255006
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 42773035
N-benzyl-2-[(4-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768059
N-benzyl-2-[butylsulfonyl(propyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3325206
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3309616

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide (CID 7237066) is N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide is CCCN(Cc1cccn1C)C(=O)COCc1ccccc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide?
The InChIKey is VZLNDTQXCMHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-11-20(13-17-10-7-12-19(17)2)18(21)15-22-14-16-8-5-4-6-9-16/h4-10,12H,3,11,13-15H2,1-2H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide?
N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide has a molecular weight of 300.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide is sourced from PubChem (CID 7237066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).