1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea

C15H23N3O2 — CID 112981227

IUPAC1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-15(19)18-13-7-5-12(6-8-13)16-10-14-4-3-9-20-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyDMAMNNYQZKIGMO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea

1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea (PubChem CID 112981227) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
PubChem CID112981227
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-15(19)18-13-7-5-12(6-8-13)16-10-14-4-3-9-20-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyDMAMNNYQZKIGMO-UHFFFAOYSA-N
XLogP2.81
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
1-[4-[[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111139155
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea (CID 112981227) is 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea?
The InChIKey is DMAMNNYQZKIGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)17-15(19)18-13-7-5-12(6-8-13)16-10-14-4-3-9-20-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea?
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea has a molecular weight of 277.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 112981227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).