N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide

C10H20N2O — CID 109011984

IUPACN-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)NCC(C)C
InChIInChI=1S/C10H20N2O/c1-4-6-11-7-5-10(13)12-8-9(2)3/h4,9,11H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyUMCXEQCAGDXMMW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.92
Rot. Bonds7

About N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide

N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide (PubChem CID 109011984) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
PubChem CID109011984
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)NCC(C)C
InChIInChI=1S/C10H20N2O/c1-4-6-11-7-5-10(13)12-8-9(2)3/h4,9,11H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyUMCXEQCAGDXMMW-UHFFFAOYSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226
3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
CID 107900289
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
(Z)-2-methyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]but-2-enoic acid
CID 103263353
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide
CID 168740714
6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
CID 163614601

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide (CID 109011984) is N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide is C=CCNCCC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide?
The InChIKey is UMCXEQCAGDXMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-11-7-5-10(13)12-8-9(2)3/h4,9,11H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide?
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide has a molecular weight of 184.28 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 109011984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).