3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide

C18H31N3O — CID 119952645

IUPAC3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
SMILESCCN(CC)CCCC(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H31N3O/c1-4-21(5-2)13-9-10-15(3)20-18(22)14-17(19)16-11-7-6-8-12-16/h6-8,11-12,15,17H,4-5,9-10,13-14,19H2,1-3H3,(H,20,22)
InChIKeyUGXHRFZLDGPMKE-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.70
Rot. Bonds10

About 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide

3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide (PubChem CID 119952645) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
PubChem CID119952645
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
SMILESCCN(CC)CCCC(C)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H31N3O/c1-4-21(5-2)13-9-10-15(3)20-18(22)14-17(19)16-11-7-6-8-12-16/h6-8,11-12,15,17H,4-5,9-10,13-14,19H2,1-3H3,(H,20,22)
InChIKeyUGXHRFZLDGPMKE-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
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3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
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3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
CID 103154141
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
3-amino-N-octan-4-yl-3-phenylpropanamide
CID 103823881
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide (CID 119952645) is 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide is CCN(CC)CCCC(C)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide?
The InChIKey is UGXHRFZLDGPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-21(5-2)13-9-10-15(3)20-18(22)14-17(19)16-11-7-6-8-12-16/h6-8,11-12,15,17H,4-5,9-10,13-14,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide?
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide has a molecular weight of 305.47 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 119952645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).