1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

C17H28N2O2 — CID 7126735

IUPAC1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1
InChIInChI=1S/C17H28N2O2/c1-11(15-3-2-4-21-15)18-16(20)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h11-15H,2-10H2,1H3,(H2,18,19,20)/t11-,12?,13?,14?,15-,17?/m0/s1
InChIKeyZNUZYZSVTTYSEW-INRQWTSDSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds3

About 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 7126735) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID7126735
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1
InChIInChI=1S/C17H28N2O2/c1-11(15-3-2-4-21-15)18-16(20)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h11-15H,2-10H2,1H3,(H2,18,19,20)/t11-,12?,13?,14?,15-,17?/m0/s1
InChIKeyZNUZYZSVTTYSEW-INRQWTSDSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea 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

1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55609544
2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 65265903
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
1-(1-adamantyl)-3-but-3-yn-2-ylurea
CID 114419040
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95761001
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95760999
1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (CID 7126735) is 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1.
What is the InChIKey of 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is ZNUZYZSVTTYSEW-INRQWTSDSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(15-3-2-4-21-15)18-16(20)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h11-15H,2-10H2,1H3,(H2,18,19,20)/t11-,12?,13?,14?,15-,17?/m0/s1.
What are the key properties of 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 292.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 7126735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).