(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide

C17H32N4O2 — CID 88756785

IUPAC(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide
SMILESC/C(N)=C/C(=O)NCC(C)CCC(C)(C)CNC(=O)/C=C(/C)N
InChIInChI=1S/C17H32N4O2/c1-12(10-20-15(22)8-13(2)18)6-7-17(4,5)11-21-16(23)9-14(3)19/h8-9,12H,6-7,10-11,18-19H2,1-5H3,(H,20,22)(H,21,23)/b13-8-,14-9-
InChIKeyJSUUDPJOLVHOSZ-QKPPEBSVSA-N
MW324.47 g/mol
LogP1.39
Rot. Bonds9

About (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide

(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide (PubChem CID 88756785) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide
PubChem CID88756785
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide
SMILESC/C(N)=C/C(=O)NCC(C)CCC(C)(C)CNC(=O)/C=C(/C)N
InChIInChI=1S/C17H32N4O2/c1-12(10-20-15(22)8-13(2)18)6-7-17(4,5)11-21-16(23)9-14(3)19/h8-9,12H,6-7,10-11,18-19H2,1-5H3,(H,20,22)(H,21,23)/b13-8-,14-9-
InChIKeyJSUUDPJOLVHOSZ-QKPPEBSVSA-N
XLogP1.39
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide with MolForge

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Related Compounds

3-[6-[bis(prop-2-enyl)carbamoylamino]-2,2,5-trimethylhexyl]-1,1-bis(prop-2-enyl)urea
CID 138533892
(Z)-3-amino-N-propan-2-ylbut-2-enamide
CID 55280984
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 115344482
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 66092248
(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
CID 118384417
N-iodo-N',2,2,5-tetramethylhexane-1,6-diamine
CID 139443800
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
2-methylbutylurea
CID 22179633
N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282359
3-methyl-2-[(3-methylbut-2-enoylamino)methyl]butanoic acid
CID 65219891
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide?
The IUPAC name of (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide (CID 88756785) is (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide is C/C(N)=C/C(=O)NCC(C)CCC(C)(C)CNC(=O)/C=C(/C)N.
What is the InChIKey of (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide?
The InChIKey is JSUUDPJOLVHOSZ-QKPPEBSVSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-12(10-20-15(22)8-13(2)18)6-7-17(4,5)11-21-16(23)9-14(3)19/h8-9,12H,6-7,10-11,18-19H2,1-5H3,(H,20,22)(H,21,23)/b13-8-,14-9-.
What are the key properties of (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide?
(Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide has a molecular weight of 324.47 g/mol, XLogP of 1.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-[6-[[(Z)-3-aminobut-2-enoyl]amino]-2,5,5-trimethylhexyl]but-2-enamide is sourced from PubChem (CID 88756785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).