N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

C17H25N3O3 — CID 46614571

IUPACN-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)C(C)C(=O)NC(=O)NCC)cc1
InChIInChI=1S/C17H25N3O3/c1-5-11-23-15-9-7-14(8-10-15)12-20(4)13(3)16(21)19-17(22)18-6-2/h5,7-10,13H,1,6,11-12H2,2-4H3,(H2,18,19,21,22)
InChIKeyCCUIIHKQENGISR-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.92
Rot. Bonds8

About N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (PubChem CID 46614571) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
PubChem CID46614571
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)C(C)C(=O)NC(=O)NCC)cc1
InChIInChI=1S/C17H25N3O3/c1-5-11-23-15-9-7-14(8-10-15)12-20(4)13(3)16(21)19-17(22)18-6-2/h5,7-10,13H,1,6,11-12H2,2-4H3,(H2,18,19,21,22)
InChIKeyCCUIIHKQENGISR-UHFFFAOYSA-N
XLogP1.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46630573
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 18142135
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (CID 46614571) is N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is C=CCOc1ccc(CN(C)C(C)C(=O)NC(=O)NCC)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The InChIKey is CCUIIHKQENGISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-5-11-23-15-9-7-14(8-10-15)12-20(4)13(3)16(21)19-17(22)18-6-2/h5,7-10,13H,1,6,11-12H2,2-4H3,(H2,18,19,21,22).
What are the key properties of N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide has a molecular weight of 319.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 46614571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).