3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide

C20H36N4O2 — CID 119643008

IUPAC3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H36N4O2/c1-3-19(21,4-2)13-23-17(25)5-6-22-18(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13,21H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyBZBCMDWBISCYQX-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.28
Rot. Bonds8

About 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide

3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide (PubChem CID 119643008) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
PubChem CID119643008
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H36N4O2/c1-3-19(21,4-2)13-23-17(25)5-6-22-18(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13,21H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyBZBCMDWBISCYQX-UHFFFAOYSA-N
XLogP2.28
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636
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2-[3-(1-adamantylcarbamoylamino)propanoylamino]butanoic acid
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3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
CID 30282519
4-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 119204442
1-(1-adamantyl)-3-hexylurea
CID 102308549
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
CID 38404709
1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
CID 119520066
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 46798188

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide (CID 119643008) is 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide is CCC(N)(CC)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide?
The InChIKey is BZBCMDWBISCYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-3-19(21,4-2)13-23-17(25)5-6-22-18(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13,21H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide has a molecular weight of 364.53 g/mol, XLogP of 2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide is sourced from PubChem (CID 119643008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).