N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide

C18H27N3O3 — CID 94800494

IUPACN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN(C[C@H]1CCOC1)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-4-21(11-14-8-9-24-12-14)17(22)15-6-5-7-16(10-15)20-18(23)19-13(2)3/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H2,19,20,23)/t14-/m1/s1
InChIKeyYXCLPEIYMOKPES-CQSZACIVSA-N
MW333.43 g/mol
LogP2.72
Rot. Bonds6

About N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 94800494) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID94800494
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCCN(C[C@H]1CCOC1)C(=O)c1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-4-21(11-14-8-9-24-12-14)17(22)15-6-5-7-16(10-15)20-18(23)19-13(2)3/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H2,19,20,23)/t14-/m1/s1
InChIKeyYXCLPEIYMOKPES-CQSZACIVSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
N-[3-[ethyl(oxolan-3-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51090912
N-ethyl-N-(oxan-4-ylmethyl)-3-(prop-2-enoylamino)benzamide
CID 166410817
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119194825
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
N-(cyanomethyl)-N-cyclopropyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 51097004
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 94800494) is N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide is CCN(C[C@H]1CCOC1)C(=O)c1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is YXCLPEIYMOKPES-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-21(11-14-8-9-24-12-14)17(22)15-6-5-7-16(10-15)20-18(23)19-13(2)3/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3,(H2,19,20,23)/t14-/m1/s1.
What are the key properties of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 333.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 94800494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).