4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide

C20H27N5O3 — CID 51126229

IUPAC4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
SMILESCc1nccn1CCCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C20H27N5O3/c1-16-21-8-10-25(16)9-2-3-19(26)22-17-4-6-18(7-5-17)23-20(27)15-24-11-13-28-14-12-24/h4-8,10H,2-3,9,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKeySGOVXNQUKRAYLD-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.88
Rot. Bonds8

About 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide

4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide (PubChem CID 51126229) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
PubChem CID51126229
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
SMILESCc1nccn1CCCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C20H27N5O3/c1-16-21-8-10-25(16)9-2-3-19(26)22-17-4-6-18(7-5-17)23-20(27)15-24-11-13-28-14-12-24/h4-8,10H,2-3,9,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKeySGOVXNQUKRAYLD-UHFFFAOYSA-N
XLogP1.88
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 16612050
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
CID 37151951
N-[4-[(3-methyl-2-pyridinyl)methylamino]phenyl]-2-morpholin-4-ylacetamide
CID 86786863
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide (CID 51126229) is 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide is Cc1nccn1CCCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
The InChIKey is SGOVXNQUKRAYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-16-21-8-10-25(16)9-2-3-19(26)22-17-4-6-18(7-5-17)23-20(27)15-24-11-13-28-14-12-24/h4-8,10H,2-3,9,11-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide?
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide has a molecular weight of 385.47 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 51126229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).