3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C21H37ClN4O2 — CID 119532426

IUPAC3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCNC1.Cl
InChIInChI=1S/C21H36N4O2.ClH/c1-2-7-25(18-3-5-22-14-18)19(26)4-6-23-20(27)24-21-11-15-8-16(12-21)10-17(9-15)13-21;/h15-18,22H,2-14H2,1H3,(H2,23,24,27);1H
InChIKeyVQJIAOSYRMNCML-UHFFFAOYSA-N
MW413.01 g/mol
LogP2.67
Rot. Bonds7

About 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119532426) has the molecular formula C21H37ClN4O2 and a molecular weight of 413.01 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119532426
Molecular FormulaC21H37ClN4O2
Molecular Weight413.01 g/mol
Exact Mass412.26
IUPAC Name3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCNC1.Cl
InChIInChI=1S/C21H36N4O2.ClH/c1-2-7-25(18-3-5-22-14-18)19(26)4-6-23-20(27)24-21-11-15-8-16(12-21)10-17(9-15)13-21;/h15-18,22H,2-14H2,1H3,(H2,23,24,27);1H
InChIKeyVQJIAOSYRMNCML-UHFFFAOYSA-N
XLogP2.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.01
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443814
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
1-(1-adamantyl)-3-hexylurea
CID 102308549
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
CID 119531548

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119532426) is 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCNC1.Cl.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is VQJIAOSYRMNCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2.ClH/c1-2-7-25(18-3-5-22-14-18)19(26)4-6-23-20(27)24-21-11-15-8-16(12-21)10-17(9-15)13-21;/h15-18,22H,2-14H2,1H3,(H2,23,24,27);1H.
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 413.01 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119532426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).