N,N-bis(butan-2-ylamino)prop-2-enamide

C11H23N3O — CID 19087001

IUPACN,N-bis(butan-2-ylamino)prop-2-enamide
SMILESC=CC(=O)N(NC(C)CC)NC(C)CC
InChIInChI=1S/C11H23N3O/c1-6-9(4)12-14(11(15)8-3)13-10(5)7-2/h8-10,12-13H,3,6-7H2,1-2,4-5H3
InChIKeyPMWUVXBCWLFHHE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.61
Rot. Bonds7

About N,N-bis(butan-2-ylamino)prop-2-enamide

N,N-bis(butan-2-ylamino)prop-2-enamide (PubChem CID 19087001) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N-bis(butan-2-ylamino)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(butan-2-ylamino)prop-2-enamide
PubChem CID19087001
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN,N-bis(butan-2-ylamino)prop-2-enamide
SMILESC=CC(=O)N(NC(C)CC)NC(C)CC
InChIInChI=1S/C11H23N3O/c1-6-9(4)12-14(11(15)8-3)13-10(5)7-2/h8-10,12-13H,3,6-7H2,1-2,4-5H3
InChIKeyPMWUVXBCWLFHHE-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methylprop-2-enehydrazide
CID 19086393
(Prop-2-enoylamino)-propylazanium chloride
CID 21744838
N'-propylprop-2-enehydrazide
CID 21744839
N'-ethylprop-2-enehydrazide
CID 22590851
N'-butylprop-2-enehydrazide
CID 23500143
Dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
N'-but-2-enylbut-2-enehydrazide
CID 57127357
2-(propan-2-ylamino)-1H-pyrazol-3-one
CID 69235738
N,N-bis(methylamino)prop-2-enamide
CID 87113321
N'-pentylprop-2-enehydrazide
CID 87501210
N-methyl-N'-propylprop-2-enehydrazide
CID 87503945
N-ethyl-N'-propylprop-2-enehydrazide
CID 87504090

Frequently Asked Questions

What is the IUPAC name of N,N-bis(butan-2-ylamino)prop-2-enamide?
The IUPAC name of N,N-bis(butan-2-ylamino)prop-2-enamide (CID 19087001) is N,N-bis(butan-2-ylamino)prop-2-enamide.
What is the SMILES notation for N,N-bis(butan-2-ylamino)prop-2-enamide?
The canonical SMILES for N,N-bis(butan-2-ylamino)prop-2-enamide is C=CC(=O)N(NC(C)CC)NC(C)CC.
What is the InChIKey of N,N-bis(butan-2-ylamino)prop-2-enamide?
The InChIKey is PMWUVXBCWLFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-6-9(4)12-14(11(15)8-3)13-10(5)7-2/h8-10,12-13H,3,6-7H2,1-2,4-5H3.
What are the key properties of N,N-bis(butan-2-ylamino)prop-2-enamide?
N,N-bis(butan-2-ylamino)prop-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(butan-2-ylamino)prop-2-enamide is sourced from PubChem (CID 19087001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).