N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide

C18H29N3O2 — CID 51362720

IUPACN'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
SMILESCCN(CC)CCNC(=O)CCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-3-21(4-2)15-14-20-18(23)11-10-17(22)19-13-12-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHLWBJZSKJXRKEC-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.58
Rot. Bonds11

About N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide

N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide (PubChem CID 51362720) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
PubChem CID51362720
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
SMILESCCN(CC)CCNC(=O)CCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-3-21(4-2)15-14-20-18(23)11-10-17(22)19-13-12-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHLWBJZSKJXRKEC-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
CID 41165153
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
CID 71213941
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide (CID 51362720) is N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide is CCN(CC)CCNC(=O)CCC(=O)NCCc1ccccc1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide?
The InChIKey is HLWBJZSKJXRKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-21(4-2)15-14-20-18(23)11-10-17(22)19-13-12-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide?
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide has a molecular weight of 319.45 g/mol, XLogP of 1.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide is sourced from PubChem (CID 51362720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).