N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide

C18H29N3O2 — CID 41165153

IUPACN-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
SMILESCCN(CC)CCNC(=O)CCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-4-21(5-2)14-13-19-17(22)11-12-18(23)20-15(3)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyACVRKJFWYSGKRX-HNNXBMFYSA-N
MW319.45 g/mol
LogP2.10
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide

N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide (PubChem CID 41165153) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
PubChem CID41165153
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
SMILESCCN(CC)CCNC(=O)CCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-4-21(5-2)14-13-19-17(22)11-12-18(23)20-15(3)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyACVRKJFWYSGKRX-HNNXBMFYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide (CID 41165153) is N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide is CCN(CC)CCNC(=O)CCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide?
The InChIKey is ACVRKJFWYSGKRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-21(5-2)14-13-19-17(22)11-12-18(23)20-15(3)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide?
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide has a molecular weight of 319.45 g/mol, XLogP of 2.10, 10 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'-[(1S)-1-phenylethyl]butanediamide is sourced from PubChem (CID 41165153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).