[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate

C19H32N2O5 — CID 72712354

IUPAC[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate
SMILESCOCCN(CCOC)C(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O5/c1-24-5-3-21(4-6-25-2)18(23)26-20-17(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,3-13H2,1-2H3,(H,20,22)
InChIKeyGXIYXZOVTHXDIZ-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.36
Rot. Bonds8

About [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate

[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate (PubChem CID 72712354) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate
PubChem CID72712354
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate
SMILESCOCCN(CCOC)C(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H32N2O5/c1-24-5-3-21(4-6-25-2)18(23)26-20-17(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,3-13H2,1-2H3,(H,20,22)
InChIKeyGXIYXZOVTHXDIZ-UHFFFAOYSA-N
XLogP2.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
CID 108896040
2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 46999032
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
methyl 2-[[2-(1-adamantyl)acetyl]amino]prop-2-enoate
CID 101073433
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
N,2-bis(1-adamantyl)acetamide
CID 3906383
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120
N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351

Frequently Asked Questions

What is the IUPAC name of [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate?
The IUPAC name of [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate (CID 72712354) is [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate.
What is the SMILES notation for [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate?
The canonical SMILES for [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate is COCCN(CCOC)C(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate?
The InChIKey is GXIYXZOVTHXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-24-5-3-21(4-6-25-2)18(23)26-20-17(22)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,3-13H2,1-2H3,(H,20,22).
What are the key properties of [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate?
[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate has a molecular weight of 368.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate is sourced from PubChem (CID 72712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).