N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide

C17H25N3O3 — CID 51091586

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
SMILESCCN(CC1CCCO1)C(=O)C(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H25N3O3/c1-3-20(12-15-10-7-11-23-15)16(21)13(2)18-17(22)19-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H2,18,19,22)
InChIKeyLTZBIFKYQCSMCC-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.22
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide

N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 51091586) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID51091586
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
SMILESCCN(CC1CCCO1)C(=O)C(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H25N3O3/c1-3-20(12-15-10-7-11-23-15)16(21)13(2)18-17(22)19-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H2,18,19,22)
InChIKeyLTZBIFKYQCSMCC-UHFFFAOYSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.22
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
1-ethyl-1-(oxolan-2-ylmethyl)-3-phenylthiourea
CID 3350664
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
CID 95352951
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617283
2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 61435299
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide (CID 51091586) is N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide is CCN(CC1CCCO1)C(=O)C(C)NC(=O)Nc1ccccc1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is LTZBIFKYQCSMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-20(12-15-10-7-11-23-15)16(21)13(2)18-17(22)19-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H2,18,19,22).
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide?
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 319.40 g/mol, XLogP of 2.22, 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)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 51091586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).