(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide

C16H23N3O2 — CID 2572487

IUPAC(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14(19-16(17)21)15(20)18-13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,20)(H3,17,19,21)/t14-/m1/s1
InChIKeyZELOZUVXSHYHCF-CQSZACIVSA-N
MW289.38 g/mol
LogP2.20
Rot. Bonds5

About (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide

(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide (PubChem CID 2572487) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
PubChem CID2572487
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N3O2/c1-10(2)8-14(19-16(17)21)15(20)18-13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,20)(H3,17,19,21)/t14-/m1/s1
InChIKeyZELOZUVXSHYHCF-CQSZACIVSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798068
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 45354771
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide (CID 2572487) is (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide is CC(C)C[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide?
The InChIKey is ZELOZUVXSHYHCF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)8-14(19-16(17)21)15(20)18-13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,18,20)(H3,17,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide?
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide has a molecular weight of 289.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide is sourced from PubChem (CID 2572487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).