3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide

C20H35N3O2 — CID 30282519

IUPAC3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N3O2/c1-3-7-23(8-4-2)18(24)5-6-21-19(25)22-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,3-14H2,1-2H3,(H2,21,22,25)
InChIKeyKNMXSNGVOCAZNT-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.29
Rot. Bonds8

About 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide

3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide (PubChem CID 30282519) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
PubChem CID30282519
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H35N3O2/c1-3-7-23(8-4-2)18(24)5-6-21-19(25)22-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,3-14H2,1-2H3,(H2,21,22,25)
InChIKeyKNMXSNGVOCAZNT-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3726783
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CID 119643008
2-[3-(1-adamantylcarbamoylamino)propanoylamino]butanoic acid
CID 119224010
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 134017559
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
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CID 120505636
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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide (CID 30282519) is 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide?
The InChIKey is KNMXSNGVOCAZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-7-23(8-4-2)18(24)5-6-21-19(25)22-20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,3-14H2,1-2H3,(H2,21,22,25).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide?
3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide has a molecular weight of 349.52 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide is sourced from PubChem (CID 30282519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).