2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C25H29N3O4 — CID 4003243

IUPAC2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)COCc1ccccc1)C1CC1
InChIInChI=1S/C25H29N3O4/c1-26-13-5-9-22(26)15-27(16-23-10-6-14-32-23)24(29)17-28(21-11-12-21)25(30)19-31-18-20-7-3-2-4-8-20/h2-10,13-14,21H,11-12,15-19H2,1H3
InChIKeyRHSYUNWGKCYICQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.35
Rot. Bonds11

About 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4003243) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID4003243
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)COCc1ccccc1)C1CC1
InChIInChI=1S/C25H29N3O4/c1-26-13-5-9-22(26)15-27(16-23-10-6-14-32-23)24(29)17-28(21-11-12-21)25(30)19-31-18-20-7-3-2-4-8-20/h2-10,13-14,21H,11-12,15-19H2,1H3
InChIKeyRHSYUNWGKCYICQ-UHFFFAOYSA-N
XLogP3.35
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3892976
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
CID 5106815
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3884188
4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057184
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057199
2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3935358
N-cyclopropyl-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767861
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3953868
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4045932
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4003243) is 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)COCc1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is RHSYUNWGKCYICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-26-13-5-9-22(26)15-27(16-23-10-6-14-32-23)24(29)17-28(21-11-12-21)25(30)19-31-18-20-7-3-2-4-8-20/h2-10,13-14,21H,11-12,15-19H2,1H3.
What are the key properties of 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4003243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).