2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide

C10H21N3O2 — CID 43084446

IUPAC2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCC(C)C
InChIInChI=1S/C10H21N3O2/c1-7(2)5-6-12-8(3)9(14)13-10(15)11-4/h7-8,12H,5-6H2,1-4H3,(H2,11,13,14,15)
InChIKeyXHSXFXSSLIXVLQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.47
Rot. Bonds5

About 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide

2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide (PubChem CID 43084446) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
PubChem CID43084446
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCC(C)C
InChIInChI=1S/C10H21N3O2/c1-7(2)5-6-12-8(3)9(14)13-10(15)11-4/h7-8,12H,5-6H2,1-4H3,(H2,11,13,14,15)
InChIKeyXHSXFXSSLIXVLQ-UHFFFAOYSA-N
XLogP0.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
CID 63826610
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(3-methylbutylamino)propanoic acid
CID 16769163
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
2-(3-methylbutylamino)propanamide
CID 43086017

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide (CID 43084446) is 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCC(C)C.
What is the InChIKey of 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide?
The InChIKey is XHSXFXSSLIXVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)5-6-12-8(3)9(14)13-10(15)11-4/h7-8,12H,5-6H2,1-4H3,(H2,11,13,14,15).
What are the key properties of 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide?
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide has a molecular weight of 215.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).