N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide

C22H28FN3O3 — CID 42767866

IUPACN-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H28FN3O3/c1-24-11-3-4-20(24)15-26(19-9-10-19)22(28)16-25(12-13-29-2)21(27)14-17-5-7-18(23)8-6-17/h3-8,11,19H,9-10,12-16H2,1-2H3
InChIKeySXHUIEQPNHDBSG-UHFFFAOYSA-N
MW401.48 g/mol
LogP2.37
Rot. Bonds10

About N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 42767866) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
PubChem CID42767866
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC NameN-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H28FN3O3/c1-24-11-3-4-20(24)15-26(19-9-10-19)22(28)16-25(12-13-29-2)21(27)14-17-5-7-18(23)8-6-17/h3-8,11,19H,9-10,12-16H2,1-2H3
InChIKeySXHUIEQPNHDBSG-UHFFFAOYSA-N
XLogP2.37
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4237806
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 5222345
N-cyclopropyl-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767861
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809
3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4212133
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4033820
(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 42767862
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide
CID 5041159
N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3963579
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4243063
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5002955
N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 4212787

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide (CID 42767866) is N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide is COCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is SXHUIEQPNHDBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-24-11-3-4-20(24)15-26(19-9-10-19)22(28)16-25(12-13-29-2)21(27)14-17-5-7-18(23)8-6-17/h3-8,11,19H,9-10,12-16H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 401.48 g/mol, XLogP of 2.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42767866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).