N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide

C11H23N3O2 — CID 116657699

IUPACN-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
SMILESCC(C)CNC(=O)C(C)NC(=O)NC(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)6-12-10(15)9(5)14-11(16)13-8(3)4/h7-9H,6H2,1-5H3,(H,12,15)(H2,13,14,16)
InChIKeyGOAWQTFBCOQFKS-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.85
Rot. Bonds5

About N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide

N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide (PubChem CID 116657699) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
PubChem CID116657699
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
SMILESCC(C)CNC(=O)C(C)NC(=O)NC(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)6-12-10(15)9(5)14-11(16)13-8(3)4/h7-9H,6H2,1-5H3,(H,12,15)(H2,13,14,16)
InChIKeyGOAWQTFBCOQFKS-UHFFFAOYSA-N
XLogP0.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
1,3-di(propan-2-yl)urea;2-methyl-N-propan-2-ylpropanamide;2-methyl-N-propan-2-ylpropan-1-amine
CID 157246155
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
CID 18600444
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467
2-(butylcarbamothioylamino)-N-(2-methylpropyl)propanamide
CID 116509936
2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 43087775
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
(2S)-2-(disulfanylamino)-3-methyl-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 174360310
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide?
The IUPAC name of N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide (CID 116657699) is N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide is CC(C)CNC(=O)C(C)NC(=O)NC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide?
The InChIKey is GOAWQTFBCOQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)6-12-10(15)9(5)14-11(16)13-8(3)4/h7-9H,6H2,1-5H3,(H,12,15)(H2,13,14,16).
What are the key properties of N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide?
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide is sourced from PubChem (CID 116657699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).