4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide

C16H23N3O3 — CID 17180641

IUPAC4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)18-15(20)12-5-7-13(8-6-12)19-16(21)17-10-14-4-3-9-22-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyUBTCUCXZGJLRJY-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.13
Rot. Bonds5

About 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide

4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide (PubChem CID 17180641) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
PubChem CID17180641
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)18-15(20)12-5-7-13(8-6-12)19-16(21)17-10-14-4-3-9-22-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyUBTCUCXZGJLRJY-UHFFFAOYSA-N
XLogP2.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide
CID 94666909
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide (CID 17180641) is 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide?
The InChIKey is UBTCUCXZGJLRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)18-15(20)12-5-7-13(8-6-12)19-16(21)17-10-14-4-3-9-22-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide?
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 17180641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).