N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide

C21H26N4O3 — CID 86841872

IUPACN-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide
SMILESCC(NC(=O)N(C)Cc1ccccn1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-15(23-21(27)25(2)13-18-5-3-4-12-22-18)16-6-10-19(11-7-16)28-14-20(26)24-17-8-9-17/h3-7,10-12,15,17H,8-9,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLKBKADJUPPGMFS-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.64
Rot. Bonds8

About N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide

N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide (PubChem CID 86841872) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide
PubChem CID86841872
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide
SMILESCC(NC(=O)N(C)Cc1ccccn1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-15(23-21(27)25(2)13-18-5-3-4-12-22-18)16-6-10-19(11-7-16)28-14-20(26)24-17-8-9-17/h3-7,10-12,15,17H,8-9,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLKBKADJUPPGMFS-UHFFFAOYSA-N
XLogP2.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]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

(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841972
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
N-cyclopropyl-2-[4-[1-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]ethyl]phenoxy]acetamide
CID 78892954
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
2-(aminomethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119720936
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112843376
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 110971170
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
4-amino-N-cyclopropyl-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66431406
5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
CID 120622061

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide (CID 86841872) is N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide is CC(NC(=O)N(C)Cc1ccccn1)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide?
The InChIKey is LKBKADJUPPGMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(23-21(27)25(2)13-18-5-3-4-12-22-18)16-6-10-19(11-7-16)28-14-20(26)24-17-8-9-17/h3-7,10-12,15,17H,8-9,13-14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide?
N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 86841872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).