N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide

C17H29N3O2 — CID 110612739

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
SMILESCCN(CC)CCOCCNC(=O)CCCc1cccnc1
InChIInChI=1S/C17H29N3O2/c1-3-20(4-2)12-14-22-13-11-19-17(21)9-5-7-16-8-6-10-18-15-16/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3,(H,19,21)
InChIKeyYNENUJAFINKDPD-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.88
Rot. Bonds12

About N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110612739) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
PubChem CID110612739
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
SMILESCCN(CC)CCOCCNC(=O)CCCc1cccnc1
InChIInChI=1S/C17H29N3O2/c1-3-20(4-2)12-14-22-13-11-19-17(21)9-5-7-16-8-6-10-18-15-16/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3,(H,19,21)
InChIKeyYNENUJAFINKDPD-UHFFFAOYSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
CID 3025101
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide (CID 110612739) is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide is CCN(CC)CCOCCNC(=O)CCCc1cccnc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is YNENUJAFINKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-20(4-2)12-14-22-13-11-19-17(21)9-5-7-16-8-6-10-18-15-16/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 307.44 g/mol, XLogP of 1.88, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110612739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).