N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide

C18H27N3O3 — CID 94818819

IUPACN-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
SMILESCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)20-16(22)13-7-9-14(10-8-13)19-17(23)21(4)12-15-6-5-11-24-15/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyWKQAWOYYXXIDOR-OAHLLOKOSA-N
MW333.43 g/mol
LogP2.86
Rot. Bonds4

About N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide

N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide (PubChem CID 94818819) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
PubChem CID94818819
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
SMILESCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)20-16(22)13-7-9-14(10-8-13)19-17(23)21(4)12-15-6-5-11-24-15/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyWKQAWOYYXXIDOR-OAHLLOKOSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide with MolForge

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Related Compounds

1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 95597644
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 100856435
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
2-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435881
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
CID 54817284
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94819523

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide (CID 94818819) is N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide is CN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide?
The InChIKey is WKQAWOYYXXIDOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)20-16(22)13-7-9-14(10-8-13)19-17(23)21(4)12-15-6-5-11-24-15/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,23)(H,20,22)/t15-/m1/s1.
What are the key properties of N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide?
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide has a molecular weight of 333.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide is sourced from PubChem (CID 94818819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).