3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C21H34N4O3 — CID 46564892

IUPAC3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCCC1
InChIInChI=1S/C21H34N4O3/c26-18(22-6-4-19(27)25-7-1-2-8-25)3-5-23-20(28)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,1-14H2,(H,22,26)(H2,23,24,28)
InChIKeyZTDRKZWVQCOCRV-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.77
Rot. Bonds7

About 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 46564892) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID46564892
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCCC1
InChIInChI=1S/C21H34N4O3/c26-18(22-6-4-19(27)25-7-1-2-8-25)3-5-23-20(28)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,1-14H2,(H,22,26)(H2,23,24,28)
InChIKeyZTDRKZWVQCOCRV-UHFFFAOYSA-N
XLogP1.77
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-adamantylcarbamoylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166668
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(1-adamantyl)urea
CID 66794706
1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
CID 119520066
1-(1-adamantyl)-3-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]urea
CID 120805111
1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 26534403
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate
CID 55422522
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008
2-[4-[3-(1-adamantylcarbamoylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248724
1-(1-adamantyl)-3-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]urea
CID 55964394
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
4-[3-(1-adamantylcarbamoylamino)propanoyl]morpholine-3-carboxylic acid
CID 119216801
3-(1-adamantylcarbamoylamino)-N-(1-cyanocyclopentyl)propanamide
CID 86913605

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 46564892) is 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCC(=O)N1CCCC1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is ZTDRKZWVQCOCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c26-18(22-6-4-19(27)25-7-1-2-8-25)3-5-23-20(28)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,1-14H2,(H,22,26)(H2,23,24,28).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 390.53 g/mol, XLogP of 1.77, 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-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 46564892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).