N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide

C19H29N3O3 — CID 56802966

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
SMILESCOc1ccc(C(NC(=O)CNCC2CN(C)CCO2)C2CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-22-9-10-25-17(13-22)11-20-12-18(23)21-19(14-3-4-14)15-5-7-16(24-2)8-6-15/h5-8,14,17,19-20H,3-4,9-13H2,1-2H3,(H,21,23)
InChIKeyPNBLLWGYBIJNHB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.18
Rot. Bonds8

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide (PubChem CID 56802966) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
PubChem CID56802966
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
SMILESCOc1ccc(C(NC(=O)CNCC2CN(C)CCO2)C2CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-22-9-10-25-17(13-22)11-20-12-18(23)21-19(14-3-4-14)15-5-7-16(24-2)8-6-15/h5-8,14,17,19-20H,3-4,9-13H2,1-2H3,(H,21,23)
InChIKeyPNBLLWGYBIJNHB-UHFFFAOYSA-N
XLogP1.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]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-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95311551
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877589
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 60857089
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 86984171

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide (CID 56802966) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide is COc1ccc(C(NC(=O)CNCC2CN(C)CCO2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
The InChIKey is PNBLLWGYBIJNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22-9-10-25-17(13-22)11-20-12-18(23)21-19(14-3-4-14)15-5-7-16(24-2)8-6-15/h5-8,14,17,19-20H,3-4,9-13H2,1-2H3,(H,21,23).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide is sourced from PubChem (CID 56802966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).