[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate

C23H30N2O5 — CID 4211505

IUPAC[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O5/c1-14(21(27)25-23-10-15-6-16(11-23)8-17(7-15)12-23)30-20(26)13-24-22(28)18-4-3-5-19(9-18)29-2/h3-5,9,14-17H,6-8,10-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQEUYPPJOYVNZFP-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.44
Rot. Bonds7

About [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate

[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 4211505) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID4211505
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O5/c1-14(21(27)25-23-10-15-6-16(11-23)8-17(7-15)12-23)30-20(26)13-24-22(28)18-4-3-5-19(9-18)29-2/h3-5,9,14-17H,6-8,10-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQEUYPPJOYVNZFP-UHFFFAOYSA-N
XLogP2.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate 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

[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 5214804
N-[2-(1-adamantyloxy)ethyl]-3,5-dimethoxybenzamide
CID 2973117
3-methoxy-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide
CID 3105416
5-{[(5-aminopentyl)carbamoyl]methoxy}-3-N-[(1R)-1-phenylethyl]-1-N,1-N-bis(prop-2-en-1-yl)benzene-1,3-dicarboxamide
CID 11598634
N-benzyl-3-[2-(ethylamino)-2-oxoethoxy]benzamide
CID 2084777
N-benzyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]benzamide
CID 2126774
Phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 2358795
[2-[(3-Methoxyphenyl)methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7284243
[2-[(3-Methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 16275938
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 2565337
[2-(1-Adamantylamino)-2-oxoethyl] 3-methoxybenzoate
CID 4301429
[2-(1-Adamantylamino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 5077652

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate (CID 4211505) is [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is QEUYPPJOYVNZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-14(21(27)25-23-10-15-6-16(11-23)8-17(7-15)12-23)30-20(26)13-24-22(28)18-4-3-5-19(9-18)29-2/h3-5,9,14-17H,6-8,10-13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate?
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 414.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 4211505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).