ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C20H34N2O3 — CID 46431460

IUPACethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C20H34N2O3/c1-5-25-19(24)21-17(13(2)3)18(23)22(4)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,5-12H2,1-4H3,(H,21,24)
InChIKeyXVNTUVNEHBYBLX-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.43
Rot. Bonds6

About ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 46431460) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID46431460
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nameethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C20H34N2O3/c1-5-25-19(24)21-17(13(2)3)18(23)22(4)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,5-12H2,1-4H3,(H,21,24)
InChIKeyXVNTUVNEHBYBLX-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate 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-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55437595
N-(1-adamantylmethyl)-2-amino-N-methylbutanamide
CID 54870796
4-[1-adamantylmethyl(methyl)amino]-3-amino-4-oxobutanoic acid
CID 64894362
N-(1-adamantylmethyl)-N-methylbutanamide
CID 60682666
N-(1-adamantylmethyl)-2-(azetidin-3-yl)-N-methylpropanamide
CID 116676401
ethyl N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59090885
ethyl N-[1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 71883499
ethyl N-[(2S)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 95235550
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 78869511
ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 47013745
N-(1-adamantylmethyl)-2-amino-N-methyl-4-methylsulfonylbutanamide;hydrochloride
CID 119956671

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 46431460) is ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)N(C)CC12CC3CC(CC(C3)C1)C2)C(C)C.
What is the InChIKey of ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is XVNTUVNEHBYBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-5-25-19(24)21-17(13(2)3)18(23)22(4)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,5-12H2,1-4H3,(H,21,24).
What are the key properties of ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 350.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 46431460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).