N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide

C19H33N3O3 — CID 166370118

IUPACN',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide
SMILESCCC(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)CCCC(=O)N(CC)CC)C2
InChIInChI=1S/C19H33N3O3/c1-4-18(24)22-15-10-11-16(22)13-14(12-15)20-17(23)8-7-9-19(25)21(5-2)6-3/h14-16H,4-13H2,1-3H3,(H,20,23)/t14?,15-,16+
InChIKeyCYUXAAKFOOGQDP-MQVJKMGUSA-N
MW351.49 g/mol
LogP2.07
Rot. Bonds8

About N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide

N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide (PubChem CID 166370118) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide
PubChem CID166370118
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide
SMILESCCC(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)CCCC(=O)N(CC)CC)C2
InChIInChI=1S/C19H33N3O3/c1-4-18(24)22-15-10-11-16(22)13-14(12-15)20-17(23)8-7-9-19(25)21(5-2)6-3/h14-16H,4-13H2,1-3H3,(H,20,23)/t14?,15-,16+
InChIKeyCYUXAAKFOOGQDP-MQVJKMGUSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide with MolForge

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Related Compounds

N',N'-diethyl-N-piperidin-4-ylpentanediamide
CID 119386732
1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 131971592
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551
N,N'-dicyclopropyldecanediamide
CID 4668836
1-[5-(diethylamino)-5-oxopentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169184
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 119484079
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
N-(3-aminobutyl)-N',N'-diethylpentanediamide
CID 119495804
12-(diethylamino)-12-oxododecanoic acid
CID 19794003

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide?
The IUPAC name of N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide (CID 166370118) is N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide.
What is the SMILES notation for N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide?
The canonical SMILES for N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide is CCC(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)CCCC(=O)N(CC)CC)C2.
What is the InChIKey of N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide?
The InChIKey is CYUXAAKFOOGQDP-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-4-18(24)22-15-10-11-16(22)13-14(12-15)20-17(23)8-7-9-19(25)21(5-2)6-3/h14-16H,4-13H2,1-3H3,(H,20,23)/t14?,15-,16+.
What are the key properties of N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide?
N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide has a molecular weight of 351.49 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1S,5R)-8-propanoyl-8-azabicyclo[3.2.1]octan-3-yl]pentanediamide is sourced from PubChem (CID 166370118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).