2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide

C15H21N3O2 — CID 42928312

IUPAC2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-16-14(19)10(2)17-15(20)18-13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyHAPNEMRIXWICKD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.50
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide

2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide (PubChem CID 42928312) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide
PubChem CID42928312
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-16-14(19)10(2)17-15(20)18-13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyHAPNEMRIXWICKD-UHFFFAOYSA-N
XLogP1.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454160
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea
CID 97314053
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide (CID 42928312) is 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)NC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide?
The InChIKey is HAPNEMRIXWICKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-16-14(19)10(2)17-15(20)18-13-9-8-11-6-4-5-7-12(11)13/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide?
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-N-ethylpropanamide is sourced from PubChem (CID 42928312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).