N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

C17H24FN3O — CID 87014013

IUPACN-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)N(CC)CC(C)C#N)Cc1cccc(F)c1
InChIInChI=1S/C17H24FN3O/c1-4-20(12-15-7-6-8-16(18)9-15)13-17(22)21(5-2)11-14(3)10-19/h6-9,14H,4-5,11-13H2,1-3H3
InChIKeyITNWQDGVXKKDQX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.66
Rot. Bonds8

About N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (PubChem CID 87014013) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
PubChem CID87014013
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)N(CC)CC(C)C#N)Cc1cccc(F)c1
InChIInChI=1S/C17H24FN3O/c1-4-20(12-15-7-6-8-16(18)9-15)13-17(22)21(5-2)11-14(3)10-19/h6-9,14H,4-5,11-13H2,1-3H3
InChIKeyITNWQDGVXKKDQX-UHFFFAOYSA-N
XLogP2.66
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
CID 60677065
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
CID 86831680
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide
CID 82139134
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 124882902
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (CID 87014013) is N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is CCN(CC(=O)N(CC)CC(C)C#N)Cc1cccc(F)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The InChIKey is ITNWQDGVXKKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-4-20(12-15-7-6-8-16(18)9-15)13-17(22)21(5-2)11-14(3)10-19/h6-9,14H,4-5,11-13H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 87014013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).