N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide

C18H27N3O3 — CID 47829854

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-4-21(12-16-9-6-10-24-16)17(22)14-7-5-8-15(11-14)20-18(23)19-13(2)3/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3,(H2,19,20,23)
InChIKeyBDNVXSDVBQBFRJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide

N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 47829854) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID47829854
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-4-21(12-16-9-6-10-24-16)17(22)14-7-5-8-15(11-14)20-18(23)19-13(2)3/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3,(H2,19,20,23)
InChIKeyBDNVXSDVBQBFRJ-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 94800494
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119194825
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 47829854) is N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide is CCN(CC1CCCO1)C(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is BDNVXSDVBQBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-21(12-16-9-6-10-24-16)17(22)14-7-5-8-15(11-14)20-18(23)19-13(2)3/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3,(H2,19,20,23).
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 333.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).