N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide

C23H31N5O3 — CID 67570248

IUPACN-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C2(C3=CN(CC)C(C(=O)CC)C3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H31N5O3/c1-5-9-20(30)25-17-11-8-10-15(12-17)23(21(31)27(4)22(24)26-23)16-13-18(19(29)6-2)28(7-3)14-16/h8,10-12,14,18H,5-7,9,13H2,1-4H3,(H2,24,26)(H,25,30)
InChIKeyGYMOEULALMDEEB-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.36
Rot. Bonds8

About N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide

N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide (PubChem CID 67570248) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide
PubChem CID67570248
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C2(C3=CN(CC)C(C(=O)CC)C3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C23H31N5O3/c1-5-9-20(30)25-17-11-8-10-15(12-17)23(21(31)27(4)22(24)26-23)16-13-18(19(29)6-2)28(7-3)14-16/h8,10-12,14,18H,5-7,9,13H2,1-4H3,(H2,24,26)(H,25,30)
InChIKeyGYMOEULALMDEEB-UHFFFAOYSA-N
XLogP2.36
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide 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-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide;1-(3-aminophenyl)-2-(1-ethyl-5-propanoylpyrrol-3-yl)ethane-1,2-dione;butanoyl chloride;N-[3-[2-(1-ethyl-5-propanoylpyrrol-3-yl)-2-oxoacetyl]phenyl]butanamide;2-methylguanidine;hydrochloride
CID 158015463
N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide
CID 71220588
N-[3-[(4R)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]furan-2-carboxamide
CID 137348435
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
CID 68792712
N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]butanamide;N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]propanamide
CID 159199604
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
CID 118911609
2-amino-3-methyl-5-(3-propoxyphenyl)-5-pyridin-4-ylimidazol-4-one
CID 15950521
N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide
CID 59388330
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
methyl 4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate
CID 59772738

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide (CID 67570248) is N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1cccc(C2(C3=CN(CC)C(C(=O)CC)C3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide?
The InChIKey is GYMOEULALMDEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-5-9-20(30)25-17-11-8-10-15(12-17)23(21(31)27(4)22(24)26-23)16-13-18(19(29)6-2)28(7-3)14-16/h8,10-12,14,18H,5-7,9,13H2,1-4H3,(H2,24,26)(H,25,30).
What are the key properties of N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide?
N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide has a molecular weight of 425.53 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 67570248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).