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

C22H30N4O4 — CID 3963579

IUPACN-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H30N4O4/c1-24-12-4-5-19(24)15-26(18-8-9-18)21(27)16-25(13-14-29-2)22(28)23-17-6-10-20(30-3)11-7-17/h4-7,10-12,18H,8-9,13-16H2,1-3H3,(H,23,28)
InChIKeyQYIBIHRIXXPLNV-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.71
Rot. Bonds10

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

N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3963579) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3963579
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H30N4O4/c1-24-12-4-5-19(24)15-26(18-8-9-18)21(27)16-25(13-14-29-2)22(28)23-17-6-10-20(30-3)11-7-17/h4-7,10-12,18H,8-9,13-16H2,1-3H3,(H,23,28)
InChIKeyQYIBIHRIXXPLNV-UHFFFAOYSA-N
XLogP2.71
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4273329
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-(2-methoxyethyl)propanamide
CID 5222345
N-cyclopropyl-2-[(3-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3894994
N-cyclopropyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4575090
N-cyclopropyl-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3939235
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809
2-[butyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5115979
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4237806
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-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 42767866
1-cyclopropyl-3-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42760040

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3963579) is N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is QYIBIHRIXXPLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-24-12-4-5-19(24)15-26(18-8-9-18)21(27)16-25(13-14-29-2)22(28)23-17-6-10-20(30-3)11-7-17/h4-7,10-12,18H,8-9,13-16H2,1-3H3,(H,23,28).
What are the key properties of N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3963579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).