2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide

C9H19N3O2 — CID 116657715

IUPAC2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
SMILESCNC(=O)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)5-11-8(13)7(3)12-9(14)10-4/h6-7H,5H2,1-4H3,(H,11,13)(H2,10,12,14)
InChIKeyCNMQIYHDMCVPTN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.08
Rot. Bonds4

About 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide

2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide (PubChem CID 116657715) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
PubChem CID116657715
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
SMILESCNC(=O)NC(C)C(=O)NCC(C)C
InChIInChI=1S/C9H19N3O2/c1-6(2)5-11-8(13)7(3)12-9(14)10-4/h6-7H,5H2,1-4H3,(H,11,13)(H2,10,12,14)
InChIKeyCNMQIYHDMCVPTN-UHFFFAOYSA-N
XLogP0.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 43087775
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
CID 18600444
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
2-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 112684467
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-(3-methylpentan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 61463653
N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107034539
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
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

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide (CID 116657715) is 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide is CNC(=O)NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is CNMQIYHDMCVPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)5-11-8(13)7(3)12-9(14)10-4/h6-7H,5H2,1-4H3,(H,11,13)(H2,10,12,14).
What are the key properties of 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide?
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 116657715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).