N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide

C16H24N2O3 — CID 86991595

IUPACN-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)CCOC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-17-16(20)14-7-5-13(6-8-14)11-18-15(19)9-10-21-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRGNNESDJIPBDNO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds8

About N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide

N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide (PubChem CID 86991595) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide
PubChem CID86991595
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)CCOC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-17-16(20)14-7-5-13(6-8-14)11-18-15(19)9-10-21-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyRGNNESDJIPBDNO-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20648409
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CID 9207204
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CID 86990014
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
2-[[4-[(butanoylamino)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 82033630
N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
CID 59903019
4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
CID 119165562
N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
CID 142183434
ethyl 4-[(4-aminopentanoylamino)methyl]benzoate
CID 120561148

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide?
The IUPAC name of N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide (CID 86991595) is N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide?
The canonical SMILES for N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide is CCNC(=O)c1ccc(CNC(=O)CCOC(C)C)cc1.
What is the InChIKey of N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide?
The InChIKey is RGNNESDJIPBDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-16(20)14-7-5-13(6-8-14)11-18-15(19)9-10-21-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide?
N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-propan-2-yloxypropanoylamino)methyl]benzamide is sourced from PubChem (CID 86991595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).