N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide

C15H30N4O2 — CID 142814026

IUPACN-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
SMILESCNCC(=O)NC(C(=O)N(C)C/C=C(\C)CN)C(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-11(9-16)7-8-19(6)14(21)13(15(2,3)4)18-12(20)10-17-5/h7,13,17H,8-10,16H2,1-6H3,(H,18,20)/b11-7+
InChIKeyQLDJORQPNWQLHL-YRNVUSSQSA-N
MW298.43 g/mol
LogP0.10
Rot. Bonds7

About N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide

N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide (PubChem CID 142814026) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
PubChem CID142814026
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
SMILESCNCC(=O)NC(C(=O)N(C)C/C=C(\C)CN)C(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-11(9-16)7-8-19(6)14(21)13(15(2,3)4)18-12(20)10-17-5/h7,13,17H,8-10,16H2,1-6H3,(H,18,20)/b11-7+
InChIKeyQLDJORQPNWQLHL-YRNVUSSQSA-N
XLogP0.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide with MolForge

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Related Compounds

cumene;ethyl 2-[(E)-4-[[3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoxy]acetate;propane
CID 142813935
(E)-4-[[3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;N-methyl-4-propan-2-ylaniline;propane
CID 145131284
(E)-4-[[2-[(3-fluoro-3-methylbutanoyl)amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid
CID 145131420
(E)-4-[[(2S)-2-[[3-(3,5-dimethylphenyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid
CID 142877281
(E)-4-[[2-[[3,3-dimethyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid
CID 145131370
(E)-4-[[3,3-dimethyl-2-[[2-methyl-2-(methylamino)-4-sulfanylbutanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;propane
CID 143023652
(E)-4-[[2-[[3-[4-(aminomethyl)phenyl]-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid;propane
CID 145131275
ethyl (E)-4-[[3,3-dimethyl-2-[(1-methylpyrrole-2-carbonyl)amino]butanoyl]-methylamino]-2-methylbut-2-enoate
CID 142813489
(E)-4-[[2-[[2-ethyl-2-(ethylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid
CID 142813563
methyl (E)-4-[[3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoate
CID 142877289
(E)-4-[[2-[[3-[3-[(fluoroamino)methyl]phenyl]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoic acid;methanamine;propane
CID 145131359
ethyl (E)-4-[[(2S)-2-[[(Z,2S)-4-ethenylsulfanyl-3,3-dimethyl-2-(methylamino)hex-4-enoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2-methylbut-2-enoate
CID 142877330

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide?
The IUPAC name of N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide (CID 142814026) is N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide.
What is the SMILES notation for N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide?
The canonical SMILES for N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide is CNCC(=O)NC(C(=O)N(C)C/C=C(\C)CN)C(C)(C)C.
What is the InChIKey of N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide?
The InChIKey is QLDJORQPNWQLHL-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-11(9-16)7-8-19(6)14(21)13(15(2,3)4)18-12(20)10-17-5/h7,13,17H,8-10,16H2,1-6H3,(H,18,20)/b11-7+.
What are the key properties of N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide?
N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide has a molecular weight of 298.43 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-amino-3-methylbut-2-enyl]-N,3,3-trimethyl-2-[[2-(methylamino)acetyl]amino]butanamide is sourced from PubChem (CID 142814026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).