N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide

C19H29N3O3 — CID 119135959

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)16-15(5-4-10-25-16)12-21-17(23)14-8-6-13(7-9-14)11-22-18(20)24/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H3,20,22,24)
InChIKeyZVDCGECPBAFCBX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.43
Rot. Bonds5

About N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide

N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide (PubChem CID 119135959) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
PubChem CID119135959
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)16-15(5-4-10-25-16)12-21-17(23)14-8-6-13(7-9-14)11-22-18(20)24/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H3,20,22,24)
InChIKeyZVDCGECPBAFCBX-UHFFFAOYSA-N
XLogP2.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
N-(2-amino-2-oxoethyl)-4-[[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111622845
4-[[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111624069
4-[[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111624289
4-[[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111624257
4-[[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111624145
1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111622859
1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111624519
N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
3-[[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111623127

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide (CID 119135959) is N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide is CC(C)(C)C1OCCCC1CNC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide?
The InChIKey is ZVDCGECPBAFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)16-15(5-4-10-25-16)12-21-17(23)14-8-6-13(7-9-14)11-22-18(20)24/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,23)(H3,20,22,24).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide?
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide is sourced from PubChem (CID 119135959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).