N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide

C17H27N3O3 — CID 51088764

IUPACN-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27N3O3/c1-6-18-17(22)20-16(21)13(5)19-12(4)14-8-7-9-15(10-14)23-11(2)3/h7-13,19H,6H2,1-5H3,(H2,18,20,21,22)
InChIKeyZMALDYGMPLGECW-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.36
Rot. Bonds7

About N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide

N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide (PubChem CID 51088764) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
PubChem CID51088764
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27N3O3/c1-6-18-17(22)20-16(21)13(5)19-12(4)14-8-7-9-15(10-14)23-11(2)3/h7-13,19H,6H2,1-5H3,(H2,18,20,21,22)
InChIKeyZMALDYGMPLGECW-UHFFFAOYSA-N
XLogP2.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
(2R)-N-(ethylcarbamoyl)-2-(3-methylphenoxy)-2-phenylacetamide
CID 7817517
(2R)-2-(3-bromophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7818419
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 81353670
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599191

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide (CID 51088764) is N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide is CCNC(=O)NC(=O)C(C)NC(C)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide?
The InChIKey is ZMALDYGMPLGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-6-18-17(22)20-16(21)13(5)19-12(4)14-8-7-9-15(10-14)23-11(2)3/h7-13,19H,6H2,1-5H3,(H2,18,20,21,22).
What are the key properties of N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide?
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 51088764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).