N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide

C20H35N3O2 — CID 86969950

IUPACN-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)NC(C1CCCC1)C1CCCC1)NC1CCCC1
InChIInChI=1S/C20H35N3O2/c24-18(22-17-11-5-6-12-17)13-14-21-20(25)23-19(15-7-1-2-8-15)16-9-3-4-10-16/h15-17,19H,1-14H2,(H,22,24)(H2,21,23,25)
InChIKeyRXIRBDBULNYKQD-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.48
Rot. Bonds7

About N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide

N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide (PubChem CID 86969950) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
PubChem CID86969950
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)NC(C1CCCC1)C1CCCC1)NC1CCCC1
InChIInChI=1S/C20H35N3O2/c24-18(22-17-11-5-6-12-17)13-14-21-20(25)23-19(15-7-1-2-8-15)16-9-3-4-10-16/h15-17,19H,1-14H2,(H,22,24)(H2,21,23,25)
InChIKeyRXIRBDBULNYKQD-UHFFFAOYSA-N
XLogP3.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
CID 86969896
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111124554
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
CID 55597562
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 79401646
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995
2-cyclopropyl-2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]acetic acid
CID 79400967

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide?
The IUPAC name of N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide (CID 86969950) is N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide?
The canonical SMILES for N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide is O=C(CCNC(=O)NC(C1CCCC1)C1CCCC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide?
The InChIKey is RXIRBDBULNYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c24-18(22-17-11-5-6-12-17)13-14-21-20(25)23-19(15-7-1-2-8-15)16-9-3-4-10-16/h15-17,19H,1-14H2,(H,22,24)(H2,21,23,25).
What are the key properties of N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide?
N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide has a molecular weight of 349.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(dicyclopentylmethylcarbamoylamino)propanamide is sourced from PubChem (CID 86969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).